SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_050656520.1 NCBI__GCF_002893965.1:WP_050656520.1 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)

4yb4A Crystal structure of homoisocitrate dehydrogenase from thermus thermophilus in complex with homoisocitrate, magnesium ion (ii) and nadh
43% identity, 95% coverage: 11:358/365 of query aligns to 1:326/333 of 4yb4A

query
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4yb4A

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active site: Y124 (= Y142), K170 (= K195), D203 (= D228), D227 (= D252), D231 (= D256)
binding (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid: S71 (≠ Y89), R84 (≠ T98), R87 (= R104), R97 (= R114), R117 (= R135), Y124 (= Y142), D227 (= D252)
binding 1,4-dihydronicotinamide adenine dinucleotide: I12 (= I22), A69 (= A87), T70 (≠ S88), S71 (≠ Y89), I201 (≠ H226), N204 (≠ A229), L240 (= L265), E256 (≠ Q281), H259 (= H284), G260 (= G285), S261 (≠ A286), A262 (= A287), D264 (= D289), I265 (= I290), N272 (= N297), D312 (= D344)

3asjB Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
43% identity, 95% coverage: 11:358/365 of query aligns to 1:326/333 of 3asjB

query
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3asjB

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active site: Y124 (= Y142), K170 (= K195), D203 (= D228), D227 (= D252), D231 (= D256)
binding (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid: R84 (≠ T98), R97 (= R114), R117 (= R135), Y124 (= Y142), D227 (= D252), D231 (= D256), V258 (≠ A283)

3asjA Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
43% identity, 95% coverage: 11:358/365 of query aligns to 1:326/333 of 3asjA

query
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3asjA

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active site: Y124 (= Y142), K170 (= K195), D203 (= D228), D227 (= D252), D231 (= D256)
binding 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid: R97 (= R114), R117 (= R135), Y124 (= Y142), D227 (= D252), D231 (= D256)

Q72IW9 Isocitrate/homoisocitrate dehydrogenase; Homoisocitrate dehydrogenase; HICDH; EC 1.1.1.286 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see 4 papers)
43% identity, 95% coverage: 11:358/365 of query aligns to 2:327/334 of Q72IW9

query
sites
Q72IW9

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I

A

A

V

D

G

A

V

V

F

I

T

S

R

K

A

K

A

A

C

S

E

E

R

R

I

I

A

G

R

R

T

A

A

A

F

L

A

R

L

I

A

A

S

E

-

G

R

R

R

P

R

R

N

K

H

T

V

L

T

H

I

I

V

A

H

H

K
|
K

A

A

N
|
N

V

V

L

L

T

P

L

L

T

T

T

Q

G

G

L

L

F

F

R

L

D

D

A

T

C

V

R

K

T

E

V

V

A

A

A

K

E

D

Y

F

P

P

H

L

V

V

V

N

V

V

D

Q

D

D

E

I

H

I

V

V

D
|
D

A

N

M

C

A

A

A
x
M

H

Q

L

L

V

V

R

M

R

R

G

P

G

E

D

R

F
|
F

D

D

V

V

V

I

V

V

T

T

E

T

N

N

M

L

F

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

A

A

G

A

E

G

L

L

S
x
V

G

G

S

G

L

L

G

G

T

L

A

A

P

P

S

S

I

G

N

N

A

I

S

G

E

D

T

T

Q

T

V

A

M

V

A

F

Q

E

A

P

A

V

H

H

G
|
G

A
x
S

A
|
A

P
|
P

D
|
D

I

I

A

A

G

G

K

K

N

G

R

I

A

A

N
|
N

P

P

T

T

A

A

L

A

F

I

L

L

S

S

S

A

A

A

M

M

L

L

D

D

W

Y

L

L

G

G

D

E

A

-

R

-

G

-

D

-

R

-

L

-

S

K

A

E

A

A

R

K

R

R

I

V

S

E

D

K

A

A

V

V

R

D

T

L

T

V

I

L

A

E

S

R

G

G

I

P

A
x
R

T

T

A

P

D

D

L

L

G

G

L

D

A

A

S

T

T

T

S

E

E

A

F

F

S

T

E

E

V

A

V

V

E57 (≠ D71) mutation to V: Confers enzyme activity with 3-isopropylmalate; when associated with I-72; M-85; A-86; T-208; Y-217; M-238 and M-310.
ATS 70:72 (≠ ASY 87:89) binding NADH
S72 (≠ Y89) binding in other chain; mutation to I: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; M-85; A-86; T-208; Y-217; M-238 and M-310.
R85 (≠ T98) binding in other chain; mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; A-86; T-208; Y-217; M-238 and M-310.; mutation to V: Confers low enzyme activity with 3-isopropylmalate. Reduces activity with homoisocitrate. Abolishes activity with isocitrate.
Y86 (≠ V102) mutation to A: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; T-208; Y-217; M-238 and M-310.
R88 (= R104) binding in other chain
R98 (= R114) binding in other chain
R118 (= R135) binding in other chain
Y125 (= Y142) binding in other chain; mutation to A: Reduces catalytic efficiency with isocitrate.
V135 (≠ I160) mutation to M: Formation of homodimers instead of homotetramers. Increased affinity for isocitrate. Reduces enzyme activity with isocitrate.
K171 (= K195) binding (2R,3S)-homoisocitrate
N173 (= N197) binding (2R,3S)-homoisocitrate; binding NADH
D204 (= D228) binding Mg(2+)
M208 (≠ A232) mutation to T: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; M-238 and M-310.
F217 (= F241) mutation to Y: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; M-238 and M-310.
D228 (= D252) binding Mg(2+)
D232 (= D256) binding Mg(2+)
V238 (≠ S262) mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; and M-310.
GSAPD 261:265 (≠ GAAPD 285:289) binding NADH
N273 (= N297) binding NADH
R310 (≠ A341) mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; and M-238.

4y1pB Crystal structure of 3-isopropylmalate dehydrogenase (saci_0600) from sulfolobus acidocaldarius complex with 3-isopropylmalate and mg2+ (see paper)
38% identity, 93% coverage: 14:354/365 of query aligns to 4:327/336 of 4y1pB

query
sites
4y1pB

L

V

G

A

L

L

M

I

H

Q

G

G

D

D

G

G

I

I

G

G

H

P

E

E

I

V

V

V

P

S

A

K

T

S

R

K

Q

T

I

I

V

L

D

-

A

A

A

R

L

L

S

N

A

E

V

K

H

F

A

S

P

L

P

P

V

I

E

E

W

Y

V

I

E

E

L

V

P

E

L

A

G

G

S

D

T

T

A

T

I

K

D

N

T

K

H

F

G

G

T

D

P

A

I

L

P

P

D

K

E

D

T

S

I

L

D

R

A

V

L

I

G

E

Q

K

L

A

Q

D

G

M

W

I

I

L

L

K

G

G

P

P

H

V

D

-

S

-

A

-

S

-

Y

-

P

-

E

-

R

-

F

-

R

-

G

G

Q

E

L

T

T

A

P
x
A

G

D

G

V

V

V

I

V

R

K

K

L

K
x
R

-

L

-

M

F

Y

E

D

L

L

F

Y

A

A

N

N

I

L

R
|
R

P

P

A

A

A

K

A

S

F

L

P

P

G

G

V

L

K

E

A

N

M

K

V

F

P

G

D

D

M

V

D

D

L

I

V

L

I

V

V

V

R
|
R

E

E

N

N

T

T

E

E

G

D

L

L

Y
|
Y

A

K

D

G

R

L

N

E

M

H

A

V

V

I

G

S

S

D

G

G

E

-

F

-

M

-

P

-

T

-

P

-

D

-

I

V

A

T

L

V

A

G

V

I

G

K

V

V

F

I

T

T

R

R

A

A

C

S

E

T

R

R

I

I

A

A

R

Q

T

V

A

A

F

L

A

N

L

Q

A

A

S

L

R

R

R

K

N

K

H

K

V

V

T

V

I

C

V

V

H

H

K
|
K

A

S

N

N

V

V

L

M

T

R

L

I

T

T

T

D

G

G

L

L

F

F

R

A

D

E

A

S

C

C

R

R

T

N

V

V

-

L

-

K

-

G

A

K

A

V

E

E

Y

Y

P

S

H

E

V

M

V

-

D

-

E

-

H

Y

V

V

D
|
D

A

A

M

A

A

A

H

N

L

L

V

V

R

R

R

N

G

P

G

Q

D

A

F

F

D

D

V

V

V

I

V

V

T

T

E

E

N

N

M

T

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

E

A

A

G

G

E

Q

L

I

S

A

G

G

S

S

L

L

G

G

T

I

A

S

P

P

S

S

I

A

N

N

A

I

S

G

E

D

T

R

Q

K

V

S

M

L

A

F

Q

E

A

P

A

V

H

H

G

G

A

A

P

F

D

D

I

I

A

A

G

G

K

K

N

N

R

I

A

A

N

N

P

P

T

T

A

A

L

F

F

L

L

L

S

S

S

V

A

G

M

M

L

L

D

D

W

R

L

M

G

Q

D

E

A

L

R

S

G

G

D

D

R

I

L

R

L

Y

S

N

A

N

A

A

R

K

R

S

I

L

S

R

D

D

A

A

V

I

R

Y

T

S

T

V

I

Y

A

S

S

E

G

G

-

K

I

Y

A

L

T

T

A

P

D

D

L

V

G

G

L

S

A

S

S

T

T

T

S

D

E

E

F

M

active site: Y123 (= Y142), K169 (= K195), D200 (= D228), D224 (= D252), D228 (= D256)
binding 3-isopropylmalic acid: A78 (≠ P99), R85 (≠ K106), R95 (= R114), R116 (= R135), Y123 (= Y142), D224 (= D252)

6lkyA Crystal structure of isocitrate dehydrogenase from methylococcus capsulatus
40% identity, 90% coverage: 13:339/365 of query aligns to 3:311/339 of 6lkyA

query
sites
6lkyA

R

K

L

I

G

T

L

L

M

I

H

P

G

G

D

D

G

G

I

I

G

G

H

P

E

S

I

I

V

V

P

D

A

A

T

A

R

V

Q

K

I

V

V

I

D

E

A

A

A

T

L

-

S

-

A

-

V

-

H

-

A

G

P

V

P

Q

V

V

E

Q

W

W

V

D

E

T

L

Q

P

S

L

A

G

G

S

M

T

A

A

A

I

V

D

E

T

K

H

F

G

G

T

T

P

P

I

L

P

P

D

D

E

A

T

T

I

L

D

D

A

S

L

I

G

R

Q

A

L

N

Q

R

G

I

W

C

I

F

L

K

G

G

P
|
P

H
x
L

D

T

S
x
T

A

P

S

V

Y

G

P

G

E

-

R

-

F

-

R

-

G

G

Q

Y

L

R

T

S

P

V

G
x
N

G

V

V

T

I

L

R

R

K

Q

K

A

F

L

E

N

L

L

F

Y

A

A

N

N

I

V

R

R

P

P

A

A

A

I

A

S

F

F

P

E

G

G

V

T

K

D

A

T

M

A

V

F

P

S

D

D

M

V

D

N

L

L

V

V

I

T

V

V

R

R

E

E

N

N

T

T

E

E

G

G

L

L

Y
|
Y

A

A

D

-

R

-

N

-

M

-

A

-

V

-

G

G

S

I

G

E

E

H

F

F

M

I

P

K

T

V

P

D

D

E

I

E

A

K

L

I

A

A

-

A

-

E

-

S

V

I

G

A

V

V

F

V

T

T

R

R

A

K

A

G

C

S

E

E

R

R

I

I

A

I

R

R

T

Y

A

A

F

F

A

D

L

Y

A

A

S

R

R

R

-

A

R

R

N

K

H

K

V

V

T

T

I

L

V

V

H

H

K
|
K

A

A

N

N

V

I

L

L

T

K

L

C

T

T

T

S

G

G

L

L

F

F

R

L

D

E

A

I

C

G

R

R

T

E

V

I

A

A

A

K

E

E

Y

Y

P

P

H

D

V

I

V

E

V

F

D

D

E

R

H

I

V

V

D
|
D

A

A

M

C

A

S

A

M

H

Q

L

M

V

V

R

M

R

Q

G

P

G

Q

D

R

F

F

D

D

V

V

V

L

V

V

T

T

E

T

N

N

M

L

F

F

G

G

D
|
D

I

I

L

L

S

S

D

D

L

L

A

A

G

A

E

G

L

L

S

I

G

G

S

G

L

L

G

G

T

L

A

T

P

A

S

G

I

A

N

N

A

I

S

G

E

T

T

D

Q

A

V

A

M

L

A

F

Q

E

A

A

A

V

H
|
H

G
|
G

A
x
S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

D

K

K

N

G

R

I

A

A

N
|
N

P

P

T

T

A

A

L

M

F

I

L

M

S

A

S

G

A

A

M

M

L

L

D

E

W

H

L

I

G

G

D

E

A

-

R

-

G

-

D

-

R

-

L

-

S

P

A

D

A

A

R

R

I

I

S

E

D

R

A

A

V

V

R

R

T

E

T

V

I

I

A

E

S

D

G

G

active site: Y123 (= Y142), K174 (= K195), D207 (= D228), D231 (= D252)
binding nicotinamide-adenine-dinucleotide: P68 (= P83), L69 (≠ H84), T71 (≠ S86), N81 (≠ G100), H263 (= H284), G264 (= G285), S265 (≠ A286), A266 (= A287), D268 (= D289), I269 (= I290), N276 (= N297)

O14104 Homoisocitrate dehydrogenase; HICDH; EC 1.1.1.87 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
37% identity, 97% coverage: 9:361/365 of query aligns to 4:359/362 of O14104

query
sites
O14104

T

T

S

R

A

R

M

I

R

V

L

L

G

G

L

L

M

I

H

P

G

A

D

D

G

G

I

I

G

G

H

K

E

E

I

V

V

V

P

P

A

A

T

A

R

R

Q

R

I

L

V

M

D

E

A

N

A

-

L

L

S

P

A

A

V

K

H

H

A

K

P

L

P

K

V

F

E

D

W

F

V

I

E

D

L

L

P

D

L

A

G

G

S

W

T

G

A

T

I

F

D

E

T

R

H

T

G

G

T

K

P

A

I

L

P

P

D

E

E

R

T

T

I

V

D

E

A

R

L

L

G

K

-

T

Q

E

L

C

Q

N

G

A

W

A

I

L

L

F

G

G

P

A

H

V

D

Q

S
|
S

A

P

S

T

Y

H

P

-

E

-

R

K

F

V

R

A

G

G

Q

Y

L

S

T
x
S

P

P

G

I

G

V

V

A

I

L

R

R

K

K

F

M

E

G

L

L

F

Y

A

A

N

N

I

V

R

R

P

P

A

V

A

K

A

S

F

L

P

D

G

G

V

A

K

K

A

G

M

-

V

-

P

K

D

P

M

V

D

D

L

L

V

V

I

I

V

V

R

R

E

E

N

N

T

T

E

E

G

C

L

L

Y

Y

A

V

D

K

R

E

N

E

M

R

A

M

V

V

G

-

S

-

G

-

E

Q

F

N

M

T

P

P

T

G

P

K

D

R

I

V

A

A

L

E

A

A

V

I

G

R

V

R

F

I

T

S

R

E

A

E

A

A

C

S

E

T

R

K

I

I

A

G

R

K

T

M

A

A

F

F

A

E

L

I

A

A

S

K

R

S

R

R

R

Q

N

K

-

I

-

R

-

E

-

S

-

G

-

T

-

Y

-

S

-

I

-

H

-

K

-

P

H

L

V

V

T

T

I

I

V

I

H

H

K

K

A

S

N

N

V

V

L

M

T

S

L

V

T

T

T

D

G

G

L

L

F

F

R

R

D

E

A

S

C

C

R

R

-

H

-

A

-

Q

T

S

V

L

A

D

A

P

E

S

Y

Y

P

A

H

S

V

I

V

N

V

V

D

D

D

E

E

Q

H

I

V

V

D

D

A

S

M

M

A

V

A

Y

H

R

L

L

V

F

R

R

R

E

G

P

G

E

D

C

F

F

D

D

V

V

T

A

E

P

N

N

M

L

F

Y

G

G

D

D

I

I

L

L

S

S

D

D

L

G

A

A

G

A

E

S

L

L

S

I

G

G

S

S

L

L

G

G

T

L

A

V

P

P

S

S

I

A

N

N

A

V

S

G

E

D

T

N

Q

F

V

V

M

M

A

S

Q

E

A

P

A

V

H

H

G

G

A

S

A

A

P

P

D

D

I

I

A

A

G

G

K

R

N

G

R

I

A

A

N

N

P

P

T

V

A

A

L

T

F

F

L

R

S

S

S

V

A

A

M

L

M

M

L

L

D

E

W

F

L

M

G

G

D

H

A

-

R

-

G

-

D

-

R

-

L

-

S

Q

A

D

A

A

R

A

R

D

I

I

S

Y

D

T

A

A

V

V

R

D

T

K

T

V

I

L

A

T

S

E

G

G

-

K

I

V

A

L

T

T

A

P

D

D

L

L

G

G

L

K

A

S

S

G

T

T

S

N

E

E

F

I

S

T

E

D

V

A

V

V

Y

L

A

A

H

N

S81 (= S86) modified: Phosphoserine
S91 (≠ T98) modified: Phosphoserine

3ty3A Crystal structure of homoisocitrate dehydrogenase from schizosaccharomyces pombe bound to glycyl-glycyl-glycine (see paper)
37% identity, 95% coverage: 14:361/365 of query aligns to 5:355/358 of 3ty3A

query
sites
3ty3A

L

L

G

G

L

L

M

I

H

P

G

A

D

D

G

G

I

I

G

G

H

K

E

E

I

V

V

V

P

P

A

A

T

A

R

R

Q

R

I

L

V

M

D

E

A

N

A

-

L

L

S

P

A

A

V

K

H

H

A

K

P

L

P

K

V

F

E

D

W

F

V

I

E

D

L

L

P

D

L

A

G

G

S

W

T

G

A

T

I

F

D

E

T

R

H

T

G

G

T

K

P

A

I

L

P

P

D

E

E

R

T

T

I

V

D

E

A

R

L

L

G

K

-

T

Q

E

L

C

Q

N

G

A

W

A

I

L

L

F

G

G

P
x
A

H
x
V

D

Q

S
|
S

A

P

S

T

Y

H

P

-

E

-

R

K

F

V

R

A

G

G

Q

Y

L

S

T

S

P

P

G

I

G

V

V

A

I

L

R
|
R

K

K

F

M

E

G

L

L

F

Y

A

A

N

N

I

V

R

R

P

P

A

V

A

K

A

S

F

L

P

D

G

G

V

A

K

K

A

G

M

K

V

-

P

-

D

P

M

V

D

D

L

L

V

V

I

I

V

V

R

R

E

E

N

N

T

T

E

E

G

C

L

L

Y
|
Y

A

V

D

K

R

E

N

E

M

R

A

M

V

V

G

-

S

-

G

-

E

Q

F

N

M

T

P

P

T

G

P

K

D

R

I

V

A

A

L

E

A

A

V

I

G

R

V

R

F

I

T

S

R

E

A

E

A

A

C

S

E

T

R

K

I

I

A

G

R

K

T

M

A

A

F

F

A

E

L

I

A

A

S

K

R

S

R

R

R

Q

N

K

-

I

-

R

-

E

-

S

-

G

-

T

-

Y

-

S

-

I

-

H

-

K

-

P

H

L

V

V

T

T

I

I

V

I

H

H

K
|
K

A

S

N

N

V

V

L

M

T

S

L

V

T

T

T

D

G

G

L

L

F

F

R

R

D

E

A

S

C

C

R

R

-

H

-

A

-

Q

T

S

V

L

A

D

A

P

E

S

Y

Y

P

A

H

S

V

I

V

N

V

V

D

D

D

E

E

Q

H

I

V

V

D
|
D

A

S

M

M

A

V

A

Y

H

R

L

L

V

F

R

R

R

E

G

P

G

E

D

C

F

F

D

D

V

V

T

A

E

P

N

N

M

L

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

G

A

A

G

A

E

S

L

L

S

I

G

G

S

S

L

L

G

G

T

L

A

V

P

P

S

S

I

A

N

N

A

V

S

G

E

D

T

N

Q

F

V

V

M

M

A

S

Q
x
E

A
x
P

A

V

H
|
H

G

G

A

S

A

A

P

P

D

D

I

I

A

A

G

G

K

R

N

G

R

I

A

A

N

N

P

P

T

V

A

A

L

T

F

F

L

R

S

S

S

V

A

A

M

L

M

M

L

L

D

E

W

F

L

M

G

G

D

H

A

-

R

-

G

-

D

-

R

-

L

-

S

Q

A

D

A

A

R

A

R

D

I

I

S

Y

D

T

A

A

V

V

R

D

T

K

T

V

I

L

A

T

S

E

G

G

-

K

I

V

A

L

T

T

A

P

D

D

L

L

G

G

L

K

A

S

S

G

T

T

S

N

E

E

F

I

S

T

E

D

V

A

V

V

Y

L

A

A

H

N

active site: Y129 (= Y142), K192 (= K195), D228 (= D228), D252 (= D252), D256 (= D256)
binding glycylglycylglycine: A74 (≠ P83), V75 (≠ H84), S77 (= S86), R93 (= R104), E281 (≠ Q281), P282 (≠ A282), H284 (= H284)

2y41A Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with ipm and mn (see paper)
38% identity, 96% coverage: 11:361/365 of query aligns to 1:344/346 of 2y41A

query
sites
2y41A

A

S

M

M

R

K

L

V

G

A

L

V

M

L

H

P

G

G

D

D

G

G

I

I

G

G

H

P

E

E

I

V

V

T

P

E

A

A

T

A

R

L

Q

K

I

V

V

L

D

R

A

A

A

-

L

L

S

D

A

E

V

A

H

E

A

G

P

L

P

G

V

L

E

A

W

Y

V

E

E

V

L

F

P

P

L

F

G

G

S

G

T

A

A

A

I

I

D

D

T

A

H

F

G

G

T

E

P

P

I

F

P

P

D

E

E

P

T

T

I

R

D

K

A

G

L

V

G

E

Q

E

L

A

Q

E

G

A

W

V

I

L

L

L

G

G

P

S

H

V

D

G

S

G

A

P

S

K

Y

W

-

D

-

G

-

L

P

P

E

R

R

K

F

I

R

R

-

P

-

E

-

T

G

G

Q

L

L

L

T

S

P

-

G

-

V

-

I

L

R
|
R

K

K

K

S

F

Q

E

D

L

L

F

F

A

A

N

N

I

L

R
|
R

P

P

A

A

A

K

A

V

F

F

P

P

G

G

V

L

K

E

A

R

M

L

V

S

P

P

-

L

-

K

-

E

-

I

-

A

-

R

D

G

M

V

D

D

L

V

V

L

I

I

V

V

R
|
R

E

E

N

L

T

T

E

G

G

G

L

I

Y
|
Y

A

F

D

G

R

E

N

P

M

R

A

G

V

M

G

S

S

E

G

A

E

E

F

-

M

-

P

-

T

-

P

-

D

-

I

-

A

A

L

W

A

N

V

T

G

E

V

R

F

Y

T

S

R

K

A

P

A

E

C

V

E

E

R

R

I

V

A

A

R

R

T

V

A

A

F

F

A

E

L

A

A

A

S

R

R

K

R

R

N

K

H

H

V

V

T

V

I

S

V

V

H

D

K
|
K

A

A

N

N

V

V

L

L

T

E

L

V

T

G

T

E

G

-

L

F

F

W

R

R

D

K

A

T

C

V

R

E

T

E

V

V

A

G

A

R

E

G

Y

Y

P

P

H

D

V

V

V

A

V

L

D

E

D

H

E

Q

H

Y

V

V

D
|
D

A

A

M

M

A

A

A

M

H

H

L

L

V

V

R

R

R

S

G

P

G

A

D

R

F

F

D

D

V

V

T

T

E

G

N

N

M

I

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

A

A

G

S

E

V

L

L

S

P

G

G

S

S

L

L

G

G

T

L

A

L

P

P

S

S

I

A

N

S

A

L

S

G

E

R

T

G

Q

T

V

P

M

V

A

F

Q

E

A

P

A

V

H

H

G

G

A

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

G

R

I

A

A

N

N

P

P

T

T

A

A

L

A

F

I

L

L

S

S

S

A

A

A

M

M

L

L

D

E

W

-

L

-

G

-

D

H

A

A

R

F

G

G

D

-

R

-

L

-

L

L

S

V

A

E

A

L

A

A

R

R

R

K

I

V

S

E

D

D

A

A

V

V

R

A

T

K

T

A

I

L

A

L

S

E

G

-

I

T

A

P

T

P

A

P

D

D

L

L

G

G

L

S

A

A

S

G

T

T

S

E

E

A

F

F

S

T

E

A

V

T

V

V

Y

L

A

R

H

H

active site: Y140 (= Y142), K186 (= K195), D218 (= D228), D242 (= D252), D246 (= D256)
binding 3-isopropylmalic acid: R95 (= R104), R105 (= R114), R133 (= R135), Y140 (= Y142), D242 (= D252)

2ztwA Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ (see paper)
38% identity, 96% coverage: 12:361/365 of query aligns to 1:343/345 of 2ztwA

query
sites
2ztwA

M

M

R

K

L

V

G

A

L

V

M

L

H

P

G

G

D

D

G

G

I
|
I

G

G

H

P

E

E

I

V

V

T

P

E

A

A

T

A

R

L

Q

K

I

V

V

L

D

R

A

A

A

-

L

L

S

D

A

E

V

A

H

E

A

G

P

L

P

G

V

L

E

A

W

Y

V

E

E

V

L

F

P

P

L

F

G

G

S

G

T

A

A

A

I

I

D

D

T

A

H

F

G

G

T

E

P

P

I

F

P

P

D

E

E

P

T

T

I

R

D

K

A

G

L

V

G

E

Q

E

L

A

Q

E

G

A

W

V

I

L

L

L

G

G

P

S

H

V

D

G

S

G

A

P

S

K

Y

W

-

D

-

G

-

L

P

P

E

R

R

K

F

I

R

R

-

P

-

E

-

T

G

G

Q

L

L

L

T

S

P

-

G

-

V

-

I

L

R

R

K

K

K

S

F

Q

E

D

L

L

F

F

A

A

N

N

I

L

R

R

P

P

A

A

A

K

A

V

F

F

P

P

G

G

V

L

K

E

A

R

M

L

V

S

P

P

-

L

-

K

-

E

-

I

-

A

-

R

D

G

M

V

D

D

L

V

V

L

I

I

V

V

R

R

E

E

N

L

T

T

E

G

G

G

L

I

Y
|
Y

A

F

D

G

R

E

N

P

M

R

A

G

V

M

G

S

S

E

G

A

E

E

F

-

M

-

P

-

T

-

P

-

D

-

I

-

A

A

L

W

A

N

V

T

G

E

V

R

F

Y

T

S

R

K

A

P

A

E

C

V

E

E

R

R

I

V

A

A

R

R

T

V

A

A

F

F

A

E

L

A

A

A

S

R

R

K

R

R

N

K

H

H

V

V

T

V

I

S

V

V

H

D

K
|
K

A

A

N

N

V

V

L

L

T

E

L

V

T

G

T

E

G

-

L

F

F

W

R

R

D

K

A

T

C

V

R

E

T

E

V

V

A
x
G

A

R

E

G

Y
|
Y

P

P

H

D

V
|
V

V

A

V

L

D

E

D

H

E

Q

H

Y

V

V

D
|
D

A

A

M

M

A

A

A

M

H

H

L

L

V

V

R

R

R

S

G

P

G

A

D

R

F

F

D

D

V

V

T

T

E

G

N

N

M

I

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

A

A

G

S

E

V

L

L

S

P

G

G

S

S

L

L

G

G

T

L

A

L

P

P

S

S

I

A

N

S

A

L

S

G

E

R

T

G

Q

T

V

P

M

V

A

F

Q

E

A

P

A

V

H
|
H

G
|
G

A

S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

K

K

N

G

R

I

A
|
A

N
|
N

P

P

T

T

A

A

L

A

F

I

L

L

S

S

S

A

A

A

M

M

L

L

D

E

W

-

L

-

G

-

D

H

A

A

R

F

G

G

D

-

R

-

L

-

L

L

S

V

A

E

A

L

A

A

R

R

R

K

I

V

S

E

D

D

A

A

V

V

R

A

T

K

T

A

I

L

A

L

S

E

G

-

I

T

A

P

T

P

A

P

D

D

L

L

G

G

L

S

A

A

S

G

T

T

S

E

E

A

F

F

S

T

E

A

V

T

V

V

Y

L

A

R

H

H

active site: Y139 (= Y142), K185 (= K195), D217 (= D228), D241 (= D252), D245 (= D256)
binding magnesium ion: G203 (≠ A214), Y206 (= Y217), V209 (= V220)
binding nicotinamide-adenine-dinucleotide: I11 (= I22), H273 (= H284), G274 (= G285), A276 (= A287), D278 (= D289), I279 (= I290), A285 (= A296), N286 (= N297)

Q5SIY4 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see 2 papers)
38% identity, 96% coverage: 12:361/365 of query aligns to 1:343/345 of Q5SIY4

query
sites
Q5SIY4

M

M

R

K

L

V

G

A

L

V

M

L

H

P

G

G

D

D

G

G

I

I

G

G

H

P

E

E

I

V

V

T

P

E

A

A

T

A

R

L

Q

K

I

V

V

L

D

R

A

A

A

-

L

L

S

D

A

E

V

A

H

E

A

G

P

L

P

G

V

L

E

A

W

Y

V

E

E

V

L

F

P

P

L

F

G

G

S

G

T

A

A

A

I

I

D

D

T

A

H

F

G

G

T

E

P

P

I

F

P

P

D

E

E

P

T

T

I

R

D

K

A

G

L

V

G

E

Q

E

L

A

Q

E

G

A

W

V

I

L

L

L

G

G

P

S

H

V

D

G

S
x
G

A
x
P

S
x
K

Y
x
W

-
x
D

-
x
G

-
x
L

P
|
P

E
x
R

R
x
K

F
x
I

R
|
R

-
x
P

-
x
E

-

T

G

G

Q

L

L

L

T

S

P

-

G

-

V

-

I

L

R

R

K

K

K

S

F

Q

E

D

L

L

F

F

A

A

N

N

I

L

R

R

P

P

A

A

A

K

A

V

F

F

P

P

G

G

V

L

K

E

A

R

M

L

V

S

P

P

-

L

-

K

-

E

-

I

-

A

-

R

D

G

M

V

D

D

L

V

V

L

I

I

V

V

R

R

E

E

N

L

T

T

E

G

G

G

L

I

Y
|
Y

A

F

D

G

R

E

N

P

M

R

A

G

V

M

G

S

S

E

G

A

E

E

F

-

M

-

P

-

T

-

P

-

D

-

I

-

A

A

L

W

A

N

V

T

G

E

V

R

F

Y

T

S

R

K

A

P

A

E

C

V

E

E

R

R

I

V

A

A

R

R

T

V

A

A

F

F

A

E

L

A

A

A

S

R

R

K

R

R

N

K

H

H

V

V

T

V

I

S

V

V

H

D

K

K

A

A

N

N

V

V

L

L

T

E

L

V

T

G

T

E

G

-

L

F

F

W

R

R

D

K

A

T

C

V

R

E

T

E

V

V

A

G

A

R

E

G

Y

Y

P

P

H

D

V

V

V

A

V

L

D

E

D

H

E

Q

H

Y

V

V

D

D

A

A

M

M

A

A

A

M

H

H

L

L

V

V

R

R

R

S

G

P

G

A

D

R

F

F

D

D

V

V

T

T

E

G

N

N

M

I

F

F

G

G

D

D

I

I

L

L

S

S

D

D

L

L

A

A

G

S

E

V

L

L

S

P

G

G

S

S

L

L

G

G

T

L

A

L

P

P

S

S

I

A

N

S

A

L

S

G

E

R

T

G

Q

T

V

P

M

V

A

F

Q

E

A

P

A

V

H

H

G
|
G

A
x
S

A
|
A

P
|
P

D
|
D

I
|
I

A
|
A

G
|
G

K
|
K

N
x
G

R
x
I

A
|
A

N
|
N

P

P

T

T

A

A

L

A

F

I

L

L

S

S

S

A

A

A

M

M

L

L

D

E

W

-

L

-

G

-

D

H

A

A

R

F

G

G

D

-

R

-

L

-

L

L

S

V

A

E

A

L

A

A

R

R

R

K

I

V

S

E

D

D

A

A

V

V

R

A

T

K

T

A

I

L

A

L

S

E

G

-

I

T

A

P

T

P

A

P

D

D

L

L

G

G

L

S

A

A

S

G

T

T

S

E

E

A

F

F

S

T

E

A

V

T

V

V

Y

L

A

R

H

H

74:87 (vs. 86:94, 14% identical) binding NAD(+)
Y139 (= Y142) mutation to F: Large decrease in activity and a small decrease in substrate affinity.
274:286 (vs. 285:297, 77% identical) binding NAD(+)

P40495 Homoisocitrate dehydrogenase, mitochondrial; HIcDH; EC 1.1.1.87 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
37% identity, 96% coverage: 4:353/365 of query aligns to 16:362/371 of P40495

query
sites
P40495

A

A

S

S

A

N

I

A

G

A

T

R

S

K

A

S

M

L

R

T

L

I

G

G

L

L

M

I

H

P

G

G

D

D

G

G

I

I

G

G

H

K

E

E

I

V

V

I

P

P

A

A

T

G

R

K

Q

Q

I

V

V

L

D

E

A

N

A

-

L

L

S

N

A

S

V

K

H

H

A

G

P

L

P

S

V

F

E

N

W

F

V

I

E

D

L

L

P

Y

L

A

G

G

S

F

T

Q

A

T

I

F

D

Q

T

E

H

T

G

G

T

K

P

A

I

L

P

P

D

D

E

E

T

T

I

V

D

K

A

V

L

L

G

K

-

E

Q

Q

L

C

Q

Q

G

G

W

A

I

L

L

F

G

G

P

A

H

V

D

Q

S

S

A

P

S

T

Y

-

P

-

E

T

R

K

F

V

R

E

G

G

Q

Y

L

S

T

S

P

P

G

I

G

V

V

A

I

L

R

R

K

R

K

E

F

M

E

G

L

L

F

F

A

A

N

N

I

V

R

R

P

P

A

V

A

K

A

S

F

V

P

E

G

G

V

E

K

K

A

G

M

-

V

-

P

K

D

P

M

I

D

D

L

M

V

V

I

I

V

V

R

R

E

E

N

N

T

T

E

E

G

D

L

L

Y
|
Y

A

I

D

K

R

I

-

E

-

K

-

T

-

Y

-

I

N

D

M

K

A

A

V

T

G

G

S

T

G

-

E

-

F

-

M

-

P

-

T

-

P

-

D

R

I

V

A

A

L

D

A

A

V

T

G

K

V

R

F

I

T

S

R

E

A

I

A

A

C

T

E

R

R

R

I

I

A

A

R

T

T

I

A

A

F

L

A

D

L

I

A

A

S

L

R

K

R

R

-

L

-

Q

-

T

-

R

-

G

R

Q

N

A

H

T

V

L

T

T

I

V

V

T

H

H

K
|
K

A

S

N

N

V

V

L

L

T

S

L

Q

T

S

T

D

G

G

L

L

F

F

R

R

D

E

A

I

C

C

R

K

T

E

V

V

A

Y

A

E

-

S

-

N

-

K

-

D

E

K

Y

Y

P

G

H

Q

V

I

V

K

V

Y

D

N

D

E

E

Q

H

I

V

V

D

D

A

S

M

M

A

V

A

Y

H

R

L

L

V

F

R

R

R

E

G

P

G

Q

D

C

F

F

D

D

V

V

V

I

V

V

T

A

E

P

N

N

M

L

F

Y

G

G

D

D

I

I

L

L

S

S

D

D

L

G

A

A

G

A

E

A

L

L

S

V

G

G

S

S

L

L

G

G

T

V

A

V

P

P

S

S

I

A

N

N

A

V

S

G

E

P

T

E

Q

I

V

V

M

I

A

G

Q

E

A

P

A

C

H

H

G

G

A

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

G

R

I

A

A

N

N

P

P

T

I

A

A

L

T

F

I

L

R

S

S

S

T

A

A

M

L

M

M

L

L

D

E

W

F

L

L

G

G

D

H

A

-

R

-

G

-

D

-

R

-

L

-

S

N

A

E

A

A

R

Q

R

D

I

I

S

Y

D

K

A

A

V

V

R

D

T

A

T

N

I

L

A

R

S

E

G

G

-

S

I

I

A

K

T

T

A

P

D

D

L

L

G

G

L

K

A

A

S

S

T

T

S

Q

E

Q

Y150 (= Y142) mutation to F: Strongly reduced enzyme activity.
K206 (= K195) mutation to M: Strongly reduced enzyme activity.

2y42D Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with nadh and mn (see paper)
38% identity, 95% coverage: 11:358/365 of query aligns to 1:341/355 of 2y42D

query
sites
2y42D

A

S

M

M

R

K

L

V

G

A

L

V

M

L

H

P

G

G

D

D

G

G

I
|
I

G

G

H

P

E

E

I

V

V

T

P

E

A

A

T

A

R

L

Q

K

I

V

V

L

D

R

A

A

A

-

L

L

S

D

A

E

V

A

H

E

A

G

P

L

P

G

V

L

E

A

W

Y

V

E

E

V

L

F

P

P

L

F

G

G

S

G

T

A

A

A

I

I

D

D

T

A

H

F

G

G

T

E

P

P

I

F

P

P

D

E

E

P

T

T

I

R

D

K

A

G

L

V

G

E

Q

E

L

A

Q

E

G

A

W

V

I

L

L

L

G

G

P

S

H

V

D

G

S

G

A

P

S

K

Y

W

-
x
D

-

G

-

L

P

P

E

R

R

K

F

I

R

R

-

P

-

E

-

T

G

G

Q

L

L

L

T

S

P

-

G

-

V

-

I

L

R

R

K

K

K

S

F

Q

E

D

L

L

F

F

A

A

N

N

I

L

R

R

P

P

A

A

A

K

A

V

F

F

P

P

G

G

V

L

K

E

A

R

M

L

V

S

P

P

-

L

-

K

-

E

-

I

-

A

-

R

D

G

M

V

D

D

L

V

V

L

I

I

V

V

R

R

E

E

N

L

T

T

E

G

G

G

L

I

Y
|
Y

A

F

D

G

R

E

N

P

M

R

A

G

V

M

G

S

S

E

G

A

E

E

F

-

M

-

P

-

T

-

P

-

D

-

I

-

A

A

L

W

A

N

V

T

G

E

V

R

F

Y

T

S

R

K

A

P

A

E

C

V

E

E

R

R

I

V

A

A

R

R

T

V

A

A

F

F

A

E

L

A

A

A

S

R

R

K

R

R

N

K

H

H

V

V

T

V

I

S

V

V

H

D

K
|
K

A

A

N

N

V

V

L

L

T

E

L

V

T

G

T

E

G

-

L

F

F

W

R

R

D

K

A

T

C

V

R

E

T

E

V

V

A

G

A

R

E

G

Y

Y

P

P

H

D

V

V

V

A

V

L

D

E

D

H

E

Q

H

Y

V

V

D
|
D

A

A

M

M

A

A

A

M

H

H

L

L

V

V

R

R

R

S

G

P

G

A

D

R

F

F

D

D

V

V

T

T

E

G

N

N

M

I