SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011187437.1 NCBI__GCF_000025945.1:WP_011187437.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

A0R066 Branched-chain-amino-acid aminotransferase; BCAT; EC 2.6.1.42 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see 2 papers)
46% identity, 93% coverage: 25:359/360 of query aligns to 28:367/368 of A0R066

query
sites
A0R066

N

N

L

P

C

G

F

F

G

G

S

K

D

Y

F

Y

T

T

D

D

H

H

M

M

F

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A

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M

I

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Y

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E

G

G

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W

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Y

Y

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N

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L

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D

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Y

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F

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L

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A

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A

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N

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A

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D

S

-

G

-

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-

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R101 (= R98) binding pyridoxal 5'-phosphate
Y209 (= Y205) binding pyridoxal 5'-phosphate
K299 (≠ R291) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
T314 (= T306) binding pyridoxal 5'-phosphate

3dtgA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
46% identity, 93% coverage: 25:359/360 of query aligns to 23:362/363 of 3dtgA

query
sites
3dtgA

N

N

L

P

C

G

F

F

G

G

S

K

D

Y

F

Y

T

T

D

D

H

H

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M

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A

E

I

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E

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G

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-

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I

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G

G

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x
G

S

M

N

N

I

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F

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R

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I

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G

G

D

S

-

G

-

S

-

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L

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F

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A

A

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P

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Y

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Y

F

I

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N

A

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A

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R

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D

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G

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L

active site: K199 (= K200)
binding O-benzylhydroxylamine: F72 (= F74), Y171 (= Y172), Y204 (= Y205)
binding pyridoxal-5'-phosphate: R96 (= R98), R189 (= R190), K199 (= K200), Y204 (= Y205), E235 (= E236), G238 (≠ T239), L263 (= L260), I266 (= I263), T267 (= T264), T309 (= T306)

3dtfA Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design (see paper)
46% identity, 93% coverage: 25:359/360 of query aligns to 23:362/363 of 3dtfA

query
sites
3dtfA

N

N

L

P

C

G

F

F

G

G

S

K

D

Y

F

Y

T

T

D

D

H

H

M

M

F

V

A

S

M

I

T

D

W

Y

S

T

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V

E

D

N

E

G

G

W

W

H

H

D

N

A

A

K

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Y

Y

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Y

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A

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G

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G

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N

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K

T

F

A

G

G

G

N

N

Y

Y

A

A

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S

L

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T

A

A

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E

A

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A

A

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N

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-

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-

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L

active site: K199 (= K200)
binding sulfate ion: R96 (= R98), I266 (= I263), T267 (= T264), T309 (= T306)

3ht5A Crystal structure of ilve a branched chain amino acid transaminase from mycobacterium tuberculosis (see paper)
45% identity, 91% coverage: 33:360/360 of query aligns to 3:335/335 of 3ht5A

query
sites
3ht5A

T

T

D

D

H

H

M

M

F

V

A

S

M

I

T

D

W

Y

S

A

R

E

E

G

N

R

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W

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H

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N

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A

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F

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A

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A

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D

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D

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K

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A

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A

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G

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A

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x
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x
M

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S

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L

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D

S

S

I

L

L

L

K

Q

L

L

A

A

R

I

S

D

W

A

G

G

L

F

N

A

V

V

S

E

E

E

R

R

K

R

I

I

T

D

I

I

E

D

E

E

V

W

L

Q

R

K

A

K

S

A

E

A

D

A

G

G

T

E

L

I

L

T

E

E

S

V

F

F

G

A

T

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

A

E

R

I

V

V

R

Y

H

K

G

D

A

K

S

S

E

Y

F

I

R

I

I

N

A

A

D

G

G

K

Q

A

P

G

G

E

E

L

V

S

T

Q

M

R

A

L

L

Y

R

A

D

E

T

L

L

Q

T

G

G

I

I

Q

Q

Y

R

G

G

E

T

L

F

E

A

D

D

P

T

F

H

K

G

W

W

V

M

E

A

R

R

V

L

G

G

active site: K171 (= K200)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R68 (= R98), K171 (= K200), Y176 (= Y205), E207 (= E236), G210 (≠ T239), M211 (≠ S240), N212 (= N241), L235 (= L260), G237 (= G262), I238 (= I263), T239 (= T264), T281 (= T306)

2hdkB Crystal structure of cys315ala-cys318ala mutant of human mitochondrial branched chain aminotransferase (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:353/363 of 2hdkB

query
sites
2hdkB

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

G

S

-

E

E

N

P

L

L

C

V

F

F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y

Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

R

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y

Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R

R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S

M

N

N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

A

V

Q

I

V

S

A

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K200 (= K200)
binding 2-oxo-4-methylpentanoic acid: G310 (= G305), T311 (= T306), A312 (= A307)
binding pyridoxal-5'-phosphate: R97 (= R98), K200 (= K200), Y205 (= Y205), E235 (= E236), T238 (= T239), L264 (= L260), G266 (= G262), V267 (≠ I263), V268 (≠ T264), G310 (= G305), T311 (= T306)

5cr5A X-ray crystal structure at 1.61a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a biphenyl pyrrolidine ether compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 92% coverage: 17:347/360 of query aligns to 12:348/358 of 5cr5A

query
sites
5cr5A

L

M

K

T

E

Q

K

K

P

P

S

H

S

K

E

K

N

P

L

L

C

V

F
|
F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F
|
F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y

Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

T

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y
|
Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T
x
V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R

R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q
|
Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V
|
V

G
|
G

T
|
T

S
x
M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S
x
C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K195 (= K200)
binding 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide: F23 (= F28), F68 (= F74), Y166 (= Y172), V175 (≠ T180), Q217 (= Q222), V231 (= V237), G232 (= G238), T233 (= T239), M234 (≠ S240), G305 (= G305), A307 (= A307), C311 (≠ S311)
binding pyridoxal-5'-phosphate: R92 (= R98), K195 (= K200), Y200 (= Y205), E230 (= E236), T233 (= T239), N235 (= N241), L259 (= L260), G261 (= G262), V262 (≠ I263), V263 (≠ T264), T306 (= T306)

2a1hA X-ray crystal structure of human mitochondrial branched chain aminotransferase (bcatm) complexed with gabapentin (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:353/363 of 2a1hA

query
sites
2a1hA

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

G

S

-

E

E

N

P

L

L

C

V

F

F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y
|
Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y

Y

I

V

R
|
R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V
|
V

R

S

P

Q

S

P

E

R

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y

Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S
x
M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K200 (= K200)
binding [1-(aminomethyl)cyclohexyl]acetic acid: Y68 (= Y69), R141 (= R142), V153 (= V154), T238 (= T239), G310 (= G305), T311 (= T306), A312 (= A307)
binding pyridoxal-5'-phosphate: R97 (= R98), R190 (= R190), K200 (= K200), Y205 (= Y205), E235 (= E236), T238 (= T239), M239 (≠ S240), N240 (= N241), L264 (= L260), G266 (= G262), V267 (≠ I263), V268 (≠ T264), T311 (= T306)

1ktaA Human branched chain amino acid aminotransferase : three dimensional structure of the enzyme in its pyridoxamine phosphate form. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 9:355/365 of 1ktaA

query
sites
1ktaA

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

G

S

-

E

E

N

P

L

L

C

V

F

F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

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L

H

H

Y

Y

G

S

Q

L

A

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I

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F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

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T

W

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L

N

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R

M

M

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L

C

C

M

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D

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E

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L

L

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E

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C

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E

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E

D

K

K

D

D

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Q

S

P

E

R

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Y

A

Y

L

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L

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F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y

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Y

F

K

P

E

G

G

G

-

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C

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D

P

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A

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A

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G

G

V

V

G

G

N

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I

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Y

A

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E

A

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-

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E

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x
M

N
|
N

I

I

F

F

F

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R

Y

I

W

G

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D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

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P

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L

G

N

G

G

S

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L

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x
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x
V

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D

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A

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W

W

G

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-

E

L

F

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R

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K

T

I

I

T

T

I

M

E

K

E

Q

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A

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E

E

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E

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A

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E

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N

G

G

-

P

E

E

L

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R

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A

K

E

E

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E

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Q

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Y

G

G

binding 3-methyl-2-oxobutanoic acid: F75 (= F74), K202 (= K200), Y207 (= Y205)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: R99 (= R98), R192 (= R190), K202 (= K200), Y207 (= Y205), E237 (= E236), T240 (= T239), M241 (≠ S240), N242 (= N241), L266 (= L260), G268 (= G262), V269 (≠ I263), V270 (≠ T264), G312 (= G305), T313 (= T306)

1ekfA Crystallographic structure of human branched chain amino acid aminotransferase (mitochondrial) complexed with pyridoxal-5'- phosphate at 1.95 angstroms (orthorhombic form) (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 9:355/365 of 1ekfA

query
sites
1ekfA

D

D

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A

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L

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V

F

F

G

G

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K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

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W

W

H

G

D

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A

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F

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H

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A

Q

I

L

F

F

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E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

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G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

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P

T

W

D

L

N

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M

E

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|
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M

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A

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C

M

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A

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K

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A

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N

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M

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N

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-

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G

active site: K202 (= K200)
binding pyridoxal-5'-phosphate: R99 (= R98), R192 (= R190), K202 (= K200), Y207 (= Y205), E237 (= E236), T240 (= T239), M241 (≠ S240), N242 (= N241), L266 (= L260), G268 (= G262), V269 (≠ I263), V270 (≠ T264), T313 (= T306)

5i5yA X-ray crystal structure at 1.81a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with an aryl acetate compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:353/363 of 5i5yA

query
sites
5i5yA

D

D

V

L

A

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G

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W

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G

D

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F

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K
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K

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F

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K

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G

K

K

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D

G

Q

Q

Q

T

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Y

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M

L

F

F

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W

D

L

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A

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A

R

L

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Y

E

L

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E

D

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K

D

D

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W

I

V

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P

E

D

A

A

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A

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Y
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Y

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Y

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L

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G

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A

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Y

Y

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K

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E

G

G

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-

S

C

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N

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P

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K

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L

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D

D

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E

A

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F

A

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R
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R

A

A

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W

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V

G

G

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V

G

G

N

N

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K
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K

T

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A

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G

G

N

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Y

A

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A

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A

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A

A

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R

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G

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W

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E

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E

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S

M

N

N

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I

F

F

F

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I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

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L

I

V

T

T

P

P

L

L

G

N

G

G

S

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I

I

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|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

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W

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G

-

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R

V

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S

V

E

E

R

R

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T

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T

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M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

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R

L

V

L

R

E

E

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V

F

F

G

G

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S

G

G

T
|
T

A
|
A

A

C

V

Q

I

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S

C

P

P

V

V

G

H

E

R

I

I

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L

Y

Y

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K

D

D

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N

Y

L

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H

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E

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E

E

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E

E

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Q

Y

Y

G

G

active site: K200 (= K200)
binding {2-[(5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl}acetic acid: F28 (= F28), Y68 (= Y69), F73 (= F74), K77 (= K78), Y139 (= Y140), V153 (= V154), Y171 (= Y172), T238 (= T239), T311 (= T306), A312 (= A307)
binding pyridoxal-5'-phosphate: R97 (= R98), R190 (= R190), K200 (= K200), Y205 (= Y205), E235 (= E236), T238 (= T239), L264 (= L260), G266 (= G262), V267 (≠ I263), V268 (≠ T264), T311 (= T306)

5i5uA X-ray crystal structure at 2.40a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a tetrahydronaphthalenyl compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:353/363 of 5i5uA

query
sites
5i5uA

D

D

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E

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F

T

T

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D

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N

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F
|
F

E

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G

M

M

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K

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G

K

K

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F

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A

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R

Y

A

Y

L

F

L

F

F

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C

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V

V

G

G

A

A

Y

Y

Y

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E

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G

G

-

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C

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N

T

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S

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D

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A

Q

F

A

I

R
|
R

A

A

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W

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V

G

G

V

V

G

G

N

N

I

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K
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R

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D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S
x
M

N

N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

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I

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P

L

L

G

N

G

G

S

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I

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L

G

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G
|
G

I
x
V

T
x
V

R

R

D

Q

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S

I

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D

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A

A

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-

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R

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E

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I

I

T

T

I

M

E

K

E

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R

A

A

S

L

E

E

D

E

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G

T

R

L

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L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

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Q

I

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S

C

P

P

V

V

G

H

E

R

I

I

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Y

Y

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K

D

D

K

R

S

N

Y

L

I

H

I

I

N

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M

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E

A

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G

G

-

P

E

E

L

L

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L

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Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

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Q

Y

Y

G

G

active site: K200 (= K200)
binding 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide: F28 (= F28), Y68 (= Y69), F73 (= F74), V153 (= V154), K200 (= K200), Y205 (= Y205), T238 (= T239), G310 (= G305), T311 (= T306), A312 (= A307)
binding pyridoxal-5'-phosphate: R97 (= R98), R190 (= R190), K200 (= K200), Y205 (= Y205), E235 (= E236), T238 (= T239), M239 (≠ S240), L264 (= L260), G266 (= G262), V267 (≠ I263), V268 (≠ T264), G310 (= G305), T311 (= T306)

O15382 Branched-chain-amino-acid aminotransferase, mitochondrial; BCAT(m); Placental protein 18; PP18; EC 2.6.1.42 from Homo sapiens (Human) (see 6 papers)
44% identity, 95% coverage: 6:347/360 of query aligns to 36:382/392 of O15382

query
sites
O15382

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

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E

P

K

G

P

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S

-

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L

C

V

F

F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

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R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

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I

I

C

Q

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P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

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F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R

R

M

M

N

L

Q

R

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A

A

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M

R

R

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L

C

C

M

L

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P

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S

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D

L

K

E

V

L

L

L

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E

S

C

L

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A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

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W

I

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P

E

D

A

A

P

A

G

G

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T

S

S

L

L

Y
|
Y

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|
R

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M

L

I

I

A

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N

E

E

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S

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E
x
T

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R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

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C

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P

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G

A

A

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Y

Y

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P

E

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G

G

-

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A

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A

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F

A

I

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A

A

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P

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G

G

V

V

G

G

N

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I

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|
K

T

L

A

G

G

G

N

N

Y

Y

A

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A

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A

Q

E

Q

I

E

A

A

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R

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G

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Q

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V

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W

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I

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F

F

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E

-

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-

G

-

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-

L

E

E

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T

P

P

L

L

G

N

G

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I

I

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G

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A

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I

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T

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M

E

K

E

Q

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L

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E

D

E

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G

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R

L

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L

R

E

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F

F

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G

T

S

G

G

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T

A

A

A
x
C

V

Q

I

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x
C

P

P

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V

G

H

E

R

I

I

V

L

Y

Y

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K

D

D

K

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Y

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I

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A

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M

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E

A

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G

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P

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L

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I

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L

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R

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A

K

E

E

L

L

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E

I

I

Q

Q

Y

Y

G

G

Y168 (= Y140) binding substrate
R170 (= R142) to Q: in HVLI; reduced catalytic activity; dbSNP:rs749866079
T186 (≠ E158) to R: in dbSNP:rs11548193
K229 (= K200) modified: N6-(pyridoxal phosphate)lysine
E264 (= E236) to K: in HVLI; reduced catalytic activity; dbSNP:rs767653663
C342 (≠ A308) mutation to A: Reduces activity about 6-fold.
C345 (≠ S311) mutation to A: Slight reduction of activity.

5bwtA X-ray crystal structure at 2.20a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a pyrazolopyrimidinone fragment and an internal aldimine linked plp. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:350/360 of 5bwtA

query
sites
5bwtA

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

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N

H

L

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K

K

E

P

K

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P

P

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G

S

-

E

E

N

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L

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F

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G

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D

T

F

F

T

T

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D

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H

M

M

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A

M

M

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E

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W

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-

E

D

N

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G

W

W

H

G

D

Q

A

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K

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I

I

C

Q

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P

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F

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N

L

L

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L

L

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P

A

A

A

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F

L

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L

A

Q

I

L

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F

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M

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K

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A

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F

K

K

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G

K

K

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D

G

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Q

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T

V

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L

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L

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K

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A

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A

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Y

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G

-

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D

P

E

A

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F

A

I

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R

A

A

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G

G

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G

G

N

N

I

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K

T

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A

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Y

A

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G

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-

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E

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T

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x
M

N
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N

I

I

F

F

F

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I

W

G

T

D

H

-

E

-

D

-

G

-

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-

L

E

E

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L

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T

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P

L

L

G

N

G

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|
L

G

P

G
|
G

I
x
V

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x
V

R

R

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S

I

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L

L

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D

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M

A

A

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W

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G

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R

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E

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T

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M

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K

E

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A

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E

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G

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R

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F

F

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G
|
G

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|
T

A
|
A

A
x
C

V

Q

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C

P

P

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V

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H

E

R

I

I

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L

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Y

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K

D

D

K

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Y

L

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I

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M

K

E

A

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G

G

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P

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E

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K

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G

E

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Q

Y

Y

G

G

active site: K197 (= K200)
binding 5-ethyl-2-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile: Y171 (= Y172), T235 (= T239), M236 (≠ S240), A309 (= A307), C310 (≠ A308)
binding pyridoxal-5'-phosphate: R97 (= R98), K197 (= K200), Y202 (= Y205), E232 (= E236), T235 (= T239), M236 (≠ S240), N237 (= N241), L261 (= L260), G263 (= G262), V264 (≠ I263), V265 (≠ T264), G307 (= G305), T308 (= T306)

5i5sA X-ray crystal structure at 2.06a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a benzisoxazole compound and an internal aldimine linked plp cofactor. (see paper)
45% identity, 91% coverage: 19:347/360 of query aligns to 17:351/361 of 5i5sA

query
sites
5i5sA

E

H

K

K

P

K

S

P

S

G

E

E

N

P

L

L

C

V

F
|
F

G

G

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K

D

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F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

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G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

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T

L

L

D

H

P

P

A

A

A

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M

S

V

S

F

L

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H

Y

Y

G

S

Q

L

A

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I

L

F
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F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

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E

D

R
|
R

M

M

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R

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S

A

A

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M

R

R

L

L

C

C

M

L

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D

L

K

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L

L

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C

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A

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L

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Y

E

L

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E

D

K

K

D

D

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W

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P

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D

A

A

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A

G

G

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L

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Y

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M

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I

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N

E

E

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L

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G

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A

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L

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F

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S

C

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P

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V

G

G

A

A

Y

Y

Y

F

K

P

E

G

G

G

-

S

C

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N

T

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P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

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K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

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L

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V

A

Q

E

Q

I

E

A

A

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K

K

R

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K

Q

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-

V

L

E

T

E
|
E

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V

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G

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T

S
x
M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

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R

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E

E

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R

K

T

I

I

T

T

I

M

E

K

E

Q

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L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

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L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
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T

A
|
A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

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G

G

-

P

E

E

L

L

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R

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K

E

E

L

L

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K

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E

I

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Q

Y

Y

G

G

active site: K198 (= K200)
binding 2-(1,2-benzoxazol-3-yl)ethanoic acid: F26 (= F28), F71 (= F74), K198 (= K200), T236 (= T239), T309 (= T306), A310 (= A307)
binding pyridoxal-5'-phosphate: R95 (= R98), R188 (= R190), K198 (= K200), Y203 (= Y205), E233 (= E236), T236 (= T239), M237 (≠ S240), N238 (= N241), L262 (= L260), G264 (= G262), V265 (≠ I263), V266 (≠ T264), G308 (= G305), T309 (= T306)

5i5tA X-ray crystal structure at 2.31a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a tetrahydroquinoline compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:351/361 of 5i5tA

query
sites
5i5tA

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

P

S

-

E

-

N

-

L

L

C

V

F
|
F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F
|
F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y

Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

T

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y
|
Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S
x
M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K198 (= K200)
binding (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide: F26 (= F28), F71 (= F74), Y169 (= Y172), K198 (= K200), T236 (= T239), A310 (= A307)
binding pyridoxal-5'-phosphate: R95 (= R98), R188 (= R190), K198 (= K200), Y203 (= Y205), E233 (= E236), T236 (= T239), M237 (≠ S240), N238 (= N241), L262 (= L260), G264 (= G262), V265 (≠ I263), V266 (≠ T264), G308 (= G305), T309 (= T306)

5i5vA X-ray crystal structure at 1.94a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a thienopyrimidine compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 7:350/360 of 5i5vA

query
sites
5i5vA

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

-

E

-

N

-

L

L

C

V

F
|
F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G

G

M

M

K
|
K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y
|
Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

T

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y
|
Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S
x
M

N

N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K197 (= K200)
binding 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid: F25 (= F28), K74 (= K78), Y136 (= Y140), Y168 (= Y172), A309 (= A307)
binding pyridoxal-5'-phosphate: R94 (= R98), R187 (= R190), K197 (= K200), Y202 (= Y205), E232 (= E236), T235 (= T239), M236 (≠ S240), L261 (= L260), G263 (= G262), V264 (≠ I263), V265 (≠ T264), G307 (= G305), T308 (= T306)

5u3fA Structure of mycobacterium tuberculosis ilve, a branched-chain amino acid transaminase, in complex with d-cycloserine derivative (see paper)
44% identity, 91% coverage: 33:360/360 of query aligns to 2:326/326 of 5u3fA

query
sites
5u3fA

T

T

D

D

H

H

M

M

F

V

A

S

M

I

T

D

W

Y

S

A

R

E

E

G

N

R

G

G

W

W

H

H

D

N

A

A

K

R

I

V

C

I

P

P

Y

Y

H

G

N

P

L

I

V

E

L

L

D

D

P

P

A

S

A

A

M

I

V

V

F

L

H

H

Y

Y

G

A

Q

Q

A

E

I

V

F

F

E

E

G
|
G

M

L

K

K

G

A

Y

Y

K

R

G

W

K

A

D

D

G

G

Q

S

T

I

Y

V

M

S

F

F

R

R

P

A

T

D

D

A

N

N

L

A

E

A

R
|
R

M

L

N

R

Q

S

S

S

A

A

V

R

R

R

L

L

C

A

M

I

P

P

R

E

L

L

P

P

V

D

D

A

K

V

V

F

L

I

K

E

S

S

L

L

K

R

A

Q

L

L

L

I

Y

A

L

V

E

D

K

K

D

A

W

W

I

V

P

P

E

G

A

A

P

G

G

G

-

E

S

E

S

A

L

L

Y
|
Y

I

L

R

R

P

P

T

F

M

I

I

F

A

A

V

T

E

E

P

P

S

G

L

L

G

G

V

V

R

R

P

P

S

A

E

T

K

Q

Y

Y

Y

R

F

Y

F

L

V

L

I

I

M

A

S

S

P

P

V

A

G

A

A

-

Y

-

K

-

E

-

G

-

C

-

N

-

P

P

T

V

K

S

I

V

Y

W

V

V

S

S

D

T

E

E

Q

Y

A

V

R

R

A

A

V

C

P

P

G

G

V

T

G

G

N

A

I

A

K
|
K

T

F

A

G

G

G

N

N

Y
|
Y

A

A

S

S

L

L

Y

L

T

A

A

Q

E

A

I

E

A

A

R

A

K

E

K

N

G

G

C

C

S

D

Q

Q

V

V

L

V

W

W

L

L

D

D

A

A

K

V

E

E

F

R

K

R

Y

Y

V

I

E

E

E
|
E

V

M

G

G

T
x
G

S
x
M

N
|
N

I

I

F

F

R

V

I

L

G

G

D

S

-

G

-

S

-

A

E

R

L

L

I

V

T

T

P

P

P

E

L

L

G

S

G

G

S

S

I

L

L
|
L

G

P

G
|
G

I
|
I

T
|
T

R

R

D

D

S

S

I

L

L

L

K

Q

L

L

A

A

R

I

S

D

W

A

G

G

L

F

N

A

V

V

S

E

E

E

R

R

K

R

I

I

T

D

I

I

E

D

E

E

V

W

L

Q

R

K

A

K

S

A

E

A

D

A

G

G

T

E

L

I

L

T

E

E

S

V

F

F

G

A

T

C

G

G

T
|
T

A

A

V

V

I

I

S

T

P

P

V

V

G

A

E

R

I

V

V

R

Y

H

K

G

D

A

K

S

S

E

Y

F

I

R

I

I

N

A

A

D

G

G

K

Q

A

P

G

G

E

E

L

V

S

T

Q

M

R

A

L

L

Y

R

A

D

E

T

L

L

Q

T

G

G

I

I

Q

Q

Y

R

G

G

E

T

L

F

E

A

D

D

P

T

F

H

K

G

W

W

V

M

E

A

R

R

V

L

G

G

active site: K162 (= K200)
binding (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate: G45 (= G76), R67 (= R98), Y110 (= Y140), K162 (= K200), Y167 (= Y205), E198 (= E236), G201 (≠ T239), M202 (≠ S240), N203 (= N241), L226 (= L260), G228 (= G262), I229 (= I263), T230 (= T264), T272 (= T306)

5i60A X-ray crystal structure at 2.12a resolution of human mitochondrial branched chain aminotransferase (bcatm) complexed with a biarl amide compound and an internal aldimine linked plp cofactor. (see paper)
44% identity, 92% coverage: 17:347/360 of query aligns to 12:349/359 of 5i60A

query
sites
5i60A

L

M

K

T

E

Q

K

K

P

P

S

H

S

K

E

K

N

P

-

P

L

L

C

V

F
|
F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G

G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y
|
Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

T

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G
|
G

A

A

Y
|
Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S
x
M

N

N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
|
L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

active site: K196 (= K200)
binding (2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid: F24 (= F28), Y135 (= Y140), G165 (= G170), Y167 (= Y172), T234 (= T239), G306 (= G305), A308 (= A307)
binding pyridoxal-5'-phosphate: R93 (= R98), R186 (= R190), K196 (= K200), Y201 (= Y205), E231 (= E236), T234 (= T239), M235 (≠ S240), L260 (= L260), G262 (= G262), V263 (≠ I263), V264 (≠ T264), T307 (= T306)

5hneA X-ray crystal structure of human mitochondrial branched chain aminotransferase (bcatm) complexed with a 2-aryl benzimidazole compound and an internal aldimine linked plp cofactor (see paper)
44% identity, 92% coverage: 17:347/360 of query aligns to 12:349/359 of 5hneA

query
sites
5hneA

L

M

K

T

E

Q

K

K

P

P

S

H

S

K

E

K

N

P

-

P

L

L

C

V

F
|
F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F
|
F

E

E

G

G

M

M

K
|
K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y

Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

T

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y
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Y

Y

F

K

P

E

G

G

G

-

S

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R

R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q
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Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V
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V

G
|
G

T
|
T

S
x
M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L
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L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A
|
A

A

C

V

Q

I

V

S
x
C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

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L

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R

L

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Y

Q

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K

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E

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E

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Q

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Y

G

G

active site: K196 (= K200)
binding 1-[(1R,3S)-3-{[(5-bromothiophen-2-yl)carbonyl]amino}cyclohexyl]-N-methyl-2-(pyridin-2-yl)-1H-benzimidazole-5-carboxamide: F24 (= F28), F69 (= F74), K73 (= K78), Y167 (= Y172), Q218 (= Q222), V232 (= V237), G233 (= G238), T234 (= T239), M235 (≠ S240), A308 (= A307), C312 (≠ S311)
binding pyridoxal-5'-phosphate: R93 (= R98), K196 (= K200), Y201 (= Y205), E231 (= E236), T234 (= T239), N236 (= N241), L260 (= L260), G262 (= G262), V263 (≠ I263), V264 (≠ T264), G306 (= G305), T307 (= T306)

1kt8A Human branched chain amino acid aminotransferase (mitochondrial): three dimensional structure of enzyme in its ketimine form with the substrate l-isoleucine (see paper)
44% identity, 95% coverage: 6:347/360 of query aligns to 9:350/360 of 1kt8A

query
sites
1kt8A

D

D

V

L

A

Q

L

L

E

E

K

M

V

T

S

Q

V

K

E

P

N

H

L

K

K

K

E

P

K

G

P

P

S

G

S

-

E

E

N

P

L

L

C

V

F

F

G

G

S

K

D

T

F

F

T

T

D

D

H

H

M

M

F

L

A

M

M

V

T

E

W

W

S

N

R

-

E

D

N

K

G

G

W

W

H

G

D

Q

A

P

K

R

I

I

C

Q

P

P

Y

F

H

Q

N

N

L

L

V

T

L

L

D

H

P

P

A

A

A

S

M

S

V

S

F

L

H

H

Y

Y

G

S

Q

L

A

Q

I

L

F

F

E

E

G
|
G

M

M

K

K

G

A

Y

F

K

K

G

G

K

K

D

D

G

Q

Q

Q

T

V

Y

R

M

L

F

F

R

R

P

P

T

W

D

L

N

N

L

M

E

D

R
|
R

M

M

N

L

Q

R

S

S

A

A

V

M

R

R

L

L

C

C

M

L

P

P

R

S

L

F

P

D

V

K

D

L

K

E

V

L

L

L

K

E

S

C

L

I

K

R

A

R

L

L

L

I

Y

E

L

V

E

D

K

K

D

D

W

W

I

V

P

P

E

D

A

A

P

A

G

G

S

T

S

S

L

L

Y
|
Y

I

V

R

R

P

P

T

V

M

L

I

I

A

G

V

N

E

E

P

P

S

S

L

L

G

G

V

V

R

S

P

Q

S

P

E

R

K

R

Y

A

Y

L

F

L

F

F

V

V

I

I

M

L

S

C

P

P

V

V

G

G

A

A

Y

Y

Y

-

K

-

E

-

G

-

C

V

N

T

P

P

T

V

K

S

I

L

Y

L

V

A

S

D

D

P

E

A

Q

F

A

I

R
|
R

A

A

V

W

P

V

G

G

V

V

G

G

N

N

I

Y

K
|
K

T

L

A

G

G

G

N

N

Y
|
Y

A

G

A

P

S

T

L

V

Y

L

T

V

A

Q

E

Q

I

E

A

A

R

L

K

K

K

R

G

G

C

C

S

E

Q

Q

V

V

L

L

W

W

L

L

D

Y

A

G

K

P

E

D

F

H

K

Q

Y

-

V

L

E

T

E
|
E

V

V

G

G

T
|
T

S

M

N
|
N

I

I

F

F

F

V

R

Y

I

W

G

T

D

H

-

E

-

D

-

G

-

V

-

L

E

E

L

L

I

V

T

T

P

P

L

L

G

N

G

G

S

V

I

I

L

L

G

P

G
|
G

I
x
V

T
x
V

R

R

D

Q

S

S

I

L

L

L

K

D

L

M

A

A

R

Q

S

T

W

W

G

G

-

E

L

F

N

R

V

V

S

V

E

E

R

R

K

T

I

I

T

T

I

M

E

K

E

Q

V

L

L

L

R

R

A

A

S

L

E

E

D

E

G

G

T

R

L

V

L

R

E

E

S

V

F

F

G

G

T

S

G
|
G

T
|
T

A

A

A

C

V

Q

I

V

S

C

P

P

V

V

G

H

E

R

I

I

V

L

Y

Y

K

K

D

D

K

R

S

N

Y

L

I

H

I

I

N

P

A

T

G

M

K

E

A

N

G

G

-

P

E

E

L

L

S

I

Q

L

R

R

L

F

Y

Q

A

K

E

E

L

L

Q

K

G

E

I

I

Q

Q

Y

Y

G

G

binding n-[o-phosphono-pyridoxyl]-isoleucine: G77 (= G76), R99 (= R98), Y141 (= Y140), R187 (= R190), K197 (= K200), Y202 (= Y205), E232 (= E236), T235 (= T239), N237 (= N241), G263 (= G262), V264 (≠ I263), V265 (≠ T264), G307 (= G305), T308 (= T306)

Query Sequence

>WP_011187437.1 NCBI__GCF_000025945.1:WP_011187437.1
MWENLDVALEKVSVENLKEKPSSENLCFGSDFTDHMFAMTWSRENGWHDAKICPYHNLVL
DPAAMVFHYGQAIFEGMKGYKGKDGQTYMFRPTDNLERMNQSAVRLCMPRLPVDKVLKSL
KALLYLEKDWIPEAPGSSLYIRPTMIAVEPSLGVRPSEKYYFFVIMSPVGAYYKEGCNPT
KIYVSDEQARAVPGGVGNIKTAGNYAASLYTAEIARKKGCSQVLWLDAKEFKYVEEVGTS
NIFFRIGDELITPPLGGSILGGITRDSILKLARSWGLNVSERKITIEEVLRASEDGTLLE
SFGTGTAAVISPVGEIVYKDKSYIINAGKAGELSQRLYAELQGIQYGELEDPFKWVERVG

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory