SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_048080253.1 NCBI__GCF_000746075.1:WP_048080253.1 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)

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)
53% identity, 95% coverage: 2:317/331 of query aligns to 3:320/334 of Q72IW9

query
sites
Q72IW9

Y

Y

D

R

I

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A

C

V

L

I

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E

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G

D

D

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V

L

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E

A

A

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N

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Y

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E

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A

A

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E

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F

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G

T

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T

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P

D

E

E

E

T

T

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Q
x
E

I

K

A

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C

C

D

H

A

A

S

T

L

L

F

F

G

G

A

A

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x
A

T
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T

S
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S

I

P

R

T

S

R

Q

K

K

V

S

P

-

G

-

F

-

G

A

A

I

I

I
x
R

T
x
Y

L

L

R
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R

K

R

E

R

L

L

D

D

L

L

Y

Y

A

A

N

N

L

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R
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R

P

P

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A

K

K

S

S

Y

R

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G

-

V

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K

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D

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L

V

D

D

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R

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E

N

N

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T

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E

G

G

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Y
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Y

S

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x
V

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K

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N

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D

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M
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M

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F

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D

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T

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N

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V

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N

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I

G

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G

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S

A
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A

P
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P

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D

I

I

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A

G

G

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K

N

G

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A

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N

P

P

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T

A

A

M

A

I

I

L

L

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S

A

A

V

A

M

M

L

L

D

D

Y

Y

L

L

K

G

E

E

H

K

D

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A

A

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K

R

V

V

E

E

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A

A

L

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M

D

K

L

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V

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L

S

-

E

E

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R

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G

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V
x
R

T

T

C

P

D

D

C

L

G

G

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D

A

A

T

T

E57 (≠ Q56) 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 (≠ VTS 69:71) binding NADH
S72 (= S71) 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 (≠ I80) 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 (≠ T81) 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 (= R83) binding in other chain
R98 (= R93) binding in other chain
R118 (= R114) binding in other chain
Y125 (= Y121) binding in other chain; mutation to A: Reduces catalytic efficiency with isocitrate.
V135 (≠ G131) mutation to M: Formation of homodimers instead of homotetramers. Increased affinity for isocitrate. Reduces enzyme activity with isocitrate.
K171 (= K167) binding (2R,3S)-homoisocitrate
N173 (= N169) binding (2R,3S)-homoisocitrate; binding NADH
D204 (= D200) binding Mg(2+)
M208 (= M204) 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 (= F213) 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 (= D224) binding Mg(2+)
D232 (= D228) binding Mg(2+)
V238 (= V234) 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 (= GSAPD 257:261) binding NADH
N273 (= N269) binding NADH
R310 (≠ V307) 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.

4yb4A Crystal structure of homoisocitrate dehydrogenase from thermus thermophilus in complex with homoisocitrate, magnesium ion (ii) and nadh
53% identity, 95% coverage: 2:317/331 of query aligns to 2:319/333 of 4yb4A

query
sites
4yb4A

Y

Y

D

R

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I

A

C

V

L

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I

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E

G

G

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D

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E

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A

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A

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R

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V

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L

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E

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A

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F

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Y

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E

E

A

A

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A

A

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G

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K

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F

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G

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L

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T

S
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S

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R

Q

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K

V

S

P

-

G

-

F

-

G

A

A

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x
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R

K

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R

L

L

D

D

L

L

Y

Y

A

A

N

N

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R

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A

K

K

S

S

Y

R

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P

G

-

V

V

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S

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P

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G

L

V

D

D

F

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I

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R

E

E

N

N

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T

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E

G

G

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Y
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Y

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K

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A

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N

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K

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T

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Q

G

G

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V

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N

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x
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D

A
x
N

T

C

A

A

M

M

F

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F

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M

K

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P

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E

M

R

F

F

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D

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V

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I

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N

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D

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D

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A

A

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L

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V

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L

G

G

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L

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A

P

P

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S

A

G

N

N

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I

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G

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E

P

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H

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G

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S

A
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A

P

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D

I
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I

A

A

G

G

K

K

N

G

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A

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N

P

P

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A

A

M

A

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A

A

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A

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M

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D

Y

Y

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E

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V

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K

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V

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A

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T

active site: Y124 (= Y121), K170 (= K167), D203 (= D200), D227 (= D224), D231 (= D228)
binding (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid: S71 (= S71), R84 (≠ I80), R87 (= R83), R97 (= R93), R117 (= R114), Y124 (= Y121), D227 (= D224)
binding 1,4-dihydronicotinamide adenine dinucleotide: I12 (= I12), A69 (≠ V69), T70 (= T70), S71 (= S71), I201 (≠ Y198), N204 (≠ A201), L240 (= L237), E256 (= E253), H259 (= H256), G260 (= G257), S261 (= S258), A262 (= A259), D264 (= D261), I265 (= I262), N272 (= N269), D312 (= D310)

3asjB Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
53% identity, 95% coverage: 2:317/331 of query aligns to 2:319/333 of 3asjB

query
sites
3asjB

Y

Y

D

R

I

I

A

C

V

L

I

I

P

E

G

G

D

D

G

G

I

I

G

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K

H

E

E

V

V

M

I

D

P

A

A

T

A

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Q

R

V

V

L

L

D

E

A

A

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E

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F

K

V

E

E

A

A

R

E

A

A

G

G

E

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K

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F

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R

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G

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P

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E

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A

A

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L

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F

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G

A

A

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A

T

T

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S

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T

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R

Q

K

K

V

S

P

-

G

-

F

-

G

A

A

I

I

I
x
R

T

Y

L

L

R

R

K

R

E

R

L

L

D

D

L

L

Y

Y

A

A

N

N

L

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R
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R

P

P

V

A

K

K

S

S

Y

R

P

P

G

-

V

V

K

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S

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I

S

F

R

K

P

D

G

L

V

D

D

F

L

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I

I

V

V

R
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R

E

E

N

N

T

T

E

E

G

G

L

L

Y
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Y

S

V

G

E

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Q

E

E

K

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Y

E

L

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G

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A

A

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A

A

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A

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T

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K

K

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A

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S

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C

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K

R

F

A

A

A

F

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K

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H

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K
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K

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A

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N

V

V

L

L

K

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K

L

T

T

D

Q

G

G

L

L

F

F

K

L

D

D

T

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K

N

E

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V

A

A

E

K

G

D

Y

F

D

P

G

L

I

V

E

N

T

V

N

Q

D

D

F

I

Y

I

V

V

D
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D

A

N

T

C

A

A

M

M

F

Q

F

L

I

V

T

M

K

R

P

P

Q

E

M

R

F

F

D

D

V

V

I

I

V

V

T

T

N

N

L

L

Y

L

G

G

D
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D

I

I

L

L

S

S

D
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D

E

L

G

A

A

A

G

G

L

L

V

V

G

G

L

L

G

G

L

L

I

A

P

P

S

S

A

G

N

N

I

I

G

G

K

D

N

T

G

A

L

V

F

F

E

E

P

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V
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V

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

G

I

I

A

A

N

N

P

P

S

T

A

A

M

A

I

I

L

L

S

S

A

A

V

A

M

M

L

L

D

D

Y

Y

L

L

K

G

E

E

H

K

D

E

A

A

R

K

K

R

V

V

E

E

N

K

A

A

L

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M

D

K

L

V

V

L

L

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-

E

E

R

R

K

G

V

P

V

R

T

T

C

P

D

D

C

L

G

G

S

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A

A

T

T

active site: Y124 (= Y121), K170 (= K167), D203 (= D200), D227 (= D224), D231 (= D228)
binding (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid: R84 (≠ I80), R97 (= R93), R117 (= R114), Y124 (= Y121), D227 (= D224), D231 (= D228), V258 (= V255)

3asjA Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
53% identity, 95% coverage: 2:317/331 of query aligns to 2:319/333 of 3asjA

query
sites
3asjA

Y

Y

D

R

I

I

A

C

V

L

I

I

P

E

G

G

D

D

G

G

I

I

G

G

K

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E

E

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M

I

D

P

A

A

T

A

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Q

R

V

V

L

L

D

E

A

A

L

T

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G

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L

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F

L

N

E

Y

F

K

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E

E

A

A

R

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A

A

G

G

E

W

K

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F

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E

R

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R

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G

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T

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P

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E

E

E

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T

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Q

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I

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A

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K

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C

C

D

H

A

A

S

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L

L

F

F

G

G

A

A

V

A

T

T

S

S

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P

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T

S

R

Q

K

K

V

S

P

-

G

-

F

-

G

A

A

I

I

I

R

T

Y

L

L

R

R

K

R

E

R

L

L

D

D

L

L

Y

Y

A

A

N

N

L

V

R
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R

P

P

V

A

K

K

S

S

Y

R

P

P

G

-

V

V

K

P

S

G

I

S

F

R

K

P

D

G

L

V

D

D

F

L

I

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I

I

V

V

R
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R

E

E

N

N

T

T

E

E

G

G

L

L

Y
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Y

S

V

G

E

I

Q

E

E

K

R

E

R

T

Y

E

L

G

D

G

V

A

A

T

I

A

A

T

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R

A

I

V

I

I

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S

T

K

K

K

A

A

S

S

E

E

R

R

I

I

C

G

K

R

F

A

A

A

F

L

E

R

Y

I

A

A

K

E

E

G

N

R

G

P

R

R

N

K

R

T

V

L

S

H

A

I

V

A

H

H

K
|
K

A

A

N

N

V

V

L

L

K

P

K

L

T

T

D

Q

G

G

L

L

F

F

K

L

D

D

T

T

F

V

Y

K

N

E

V

V

A

A

E

K

G

D

Y

F

D

P

G

L

I

V

E

N

T

V

N

Q

D

D

F

I

Y

I

V

V

D
|
D

A

N

T

C

A

A

M

M

F

Q

F

L

I

V

T

M

K

R

P

P

Q

E

M

R

F

F

D

D

V

V

I

I

V

V

T

T

N

N

L

L

Y

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

L

G

A

A

A

G

G

L

L

V

V

G

G

L

L

G

G

L

L

I

A

P

P

S

S

A

G

N

N

I

I

G

G

K

D

N

T

G

A

L

V

F

F

E

E

P

P

V

V

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

G

I

I

A

A

N

N

P

P

S

T

A

A

M

A

I

I

L

L

S

S

A

A

V

A

M

M

L

L

D

D

Y

Y

L

L

K

G

E

E

H

K

D

E

A

A

R

K

K

R

V

V

E

E

N

K

A

A

L

V

M

D

K

L

V

V

L

L

S

-

E

E

R

R

K

G

V

P

V

R

T

T

C

P

D

D

C

L

G

G

S

D

A

A

T

T

active site: Y124 (= Y121), K170 (= K167), D203 (= D200), D227 (= D224), D231 (= D228)
binding 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid: R97 (= R93), R117 (= R114), Y124 (= Y121), D227 (= D224), D231 (= D228)

6lkyA Crystal structure of isocitrate dehydrogenase from methylococcus capsulatus
44% identity, 100% coverage: 1:330/331 of query aligns to 1:339/339 of 6lkyA

query
sites
6lkyA

M

M

Y

H

D

K

I

I

A

T

V

L

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

P

E

S

V

I

M

V

D

D

A

A

T

A

L

V

Q

K

V

V

L

I

D

E

A

A

L

T

D

G

I

V

K

Q

F

V

N

Q

Y

W

K

D

E

T

A

Q

R

S

A

A

G

G

E

M

K

A

C

A

F

V

R

E

R

K

T

F

G

G

T

T

T

P

I

L

P

P

D

D

E

A

T

T

I

L

Q

D

I

S

A

I

K

R

D

A

C

N

D

R

A

I

S

C

L

F

F

K

G

G

A
x
P

V
x
L

T

T

S
x
T

I

P

-

V

-

G

R

G

S

G

Q

Y

K

R

S

S

A

V

I
x
N

I

V

T

T

L

L

R

R

K

Q

E

A

L

L

D

N

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

A

K

I

S

S

Y

F

P

E

G

G

V

T

K

D

S

T

I

A

F

F

K

S

D

D

L

V

D

N

F

L

I

V

I

T

V

V

R

R

E

E

N

N

T

T

E

E

G

G

L

L

Y
|
Y

S

A

G

G

I

I

E

E

K

H

-

F

-

I

-

K

-

V

-

D

E

E

T

E

E

K

G

I

G

A

A

A

T

E

A

S

T

I

R

A

I

V

T

T

T

R

K

K

A

G

S

S

E

E

R

R

I

I

C

I

K

R

F

Y

A

A

F

F

E

D

Y

Y

A

A

K

R

E

R

N

A

G

R

R

R

N

K

R

K

V

V

S

T

A

L

V

V

H

H

K
|
K

A

A

N

N

V

I

L

L

K

K

K

C

T

T

D

S

G

G

L

L

F

F

K

L

D

E

T

I

F

G

Y

R

N

E

V

I

A

A

E

K

G

E

Y

Y

D

P

G

D

I

I

E

E

T

F

N

D

D

D

F

R

Y

I

V

V

D
|
D

A

A

T

C

A

S

M

M

F

Q

F

M

I

V

T

M

K

Q

P

P

Q

Q

M

R

F

F

D

D

V

V

I

L

V

V

T

T

N

N

L

L

Y

F

G

G

D
|
D

I

I

L

L

S

S

D

D

E

L

G

A

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

L

I

T

P

A

S

G

A

A

N

N

I

I

G

G

K

T

N

D

N

A

G

A

L

L

F

F

E

E

P

A

V

V

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

D

K

K

N

G

I

I

A

A

N
|
N

P

P

S

T

A

A

M

M

I

I

L

M

S

A

A

G

V

A

M

M

L

L

D

E

Y

H

L

I

K

G

E

E

H

P

D

D

A

A

R

R

K

R

V

I

E

E

N

R

A

A

L

V

M

R

K

E

V

V

L

I

S

E

E

D

R

G

K

R

V

S

V

V

T

T

C

P

D

D

-

L

-

A

-

K

-

D

-

S

-

P

C

C

G

G

G

-

S

-

A

-

T

-

T

T

M

A

E

Q

M

M

A

A

L

E

E

A

V

I

K

V

S

E

K

R

I

V

E

R

S

Q

active site: Y123 (= Y121), K174 (= K167), D207 (= D200), D231 (= D224)
binding nicotinamide-adenine-dinucleotide: P68 (≠ A68), L69 (≠ V69), T71 (≠ S71), N81 (≠ I79), H263 (= H256), G264 (= G257), S265 (= S258), A266 (= A259), D268 (= D261), I269 (= I262), N276 (= N269)

6m3sB Dimeric isocitrate dehydrogenase from xanthomonas campestris pv. Campestris 8004
46% identity, 98% coverage: 4:328/331 of query aligns to 8:338/338 of 6m3sB

query
sites
6m3sB

I

I

A

T

V

V

I

I

P

R

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

I

M

M

D

D

A

A

T

T

L

L

Q

F

V

V

L

L

D

D

A

A

L

L

D

Q

I

A

K

G

F

L

N

T

Y

Y

K

E

E

Y

A

A

R

D

A

A

G

G

E

L

K

V

C

A

F

L

R

E

R

K

T

H

G

G

T

D

T

L

I

L

P

P

D

E

E

S

T

T

I

L

-

A

Q

S

I

I

A

T

K

K

D

N

C

K

D

V

A

A

S

L

L

K

F

S

G
x
P

A
x
L

V

T

T
|
T

S

P

I

V

R

G

S

E

Q

G

K

F

S

S

A
x
S

I

I

-
x
N

I

V

T

A

L

M

R
|
R

K

R

E

K

L

F

D

D

L

L

Y

Y

A

A

N

N

L

V

R
|
R

P

P

V

A

K

K

S

S

Y

F

P

P

G

N

V

T

K

K

S

S

I

R

F

F

K

A

D

D

-

G

L

V

D

D

F

L

I

I

I

T

V

V

R
|
R

E

E

N

N

T

T

E

E

G

G

L

A

Y
|
Y

-

L

-

S

S

E

G

G

I

Q

E

E

K

V

E

S

T

A

E

D

G

G

G

E

-

V

A

A

T

V

A

S

T

G

R

A

I

R

I

V

T

T

T

R

K

K

A

G

S

S

E

E

R

R

I

I

C

V

K

R

F

Y

A

A

F

F

E

D

Y

L

A

A

K

R

E

A

N

T

G

G

R

R

N

K

R

K

V

V

S

T

A

A

V

V

H

H

K
|
K

A

A

N

N

V

I

L

I

K

K

K

S

T

T

D

S

G

G

L

L

F

F

K

L

D

K

T

V

F

A

Y

R

N

D

V

V

A

A

E

T

G

Q

Y

Y

D

P

G

E

I

I

E

E

T

F

N

Q

D

E

F

M

Y

I

V

V

D
|
D

A

N

T

T

A

C

M

M

F

Q

F

L

I

V

T

M

K

R

P

P

Q

E

M

Q

F

F

D

D

V

I

I

I

V

V

T

T

N

N

L

L

Y

F

G

G

D
|
D

I

I

L

I

S

S

D
|
D

E

L

G

C

A

A

G

G

L

L

V

V

G

G

L

L

G

G

L

L

I

A

P

P

S

G

A

A

N

N

I

I

G

G

K

V

N

D

N

A

G

A

L

I

F

F

E

E

P

A

V

V

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

K

Q

N

G

I

K

A

A

N
|
N

P

P

S

C

A

A

M

L

I

L

L

L

S

G

A

A

V

A

M

Q

M

M

L

L

D

D

Y

H

L

I

K

G

E

Q

H

P

D

Q

A

N

A

A

R

E

K

R

V

L

E

R

N

E

A

A

L

I

M

V

K

A

V

T

L

L

S

E

E

A

R

K

K

D

V

S

V

L

T

T

C

P

D

D

C

L

G

G

S

T

A

G

T

N

T

T

M

M

E

G

M

F

A

A

L

K

E

A

V

I

K

A

S

S

K

R

I

L

active site: Y128 (= Y121), K177 (= K167), D210 (= D200), D234 (= D224)
binding isocitrate calcium complex: T75 (= T70), S83 (≠ A78), N85 (vs. gap), R89 (= R83), R99 (= R93), R121 (= R114), Y128 (= Y121), D234 (= D224), D238 (= D228)
binding nicotinamide-adenine-dinucleotide: P72 (≠ G67), L73 (≠ A68), T75 (= T70), N85 (vs. gap), H266 (= H256), G267 (= G257), S268 (= S258), A269 (= A259), D271 (= D261), I272 (= I262), N279 (= N269)

2d1cA Crystal structure of tt0538 protein from thermus thermophilus hb8
46% identity, 94% coverage: 4:313/331 of query aligns to 21:336/495 of 2d1cA

query
sites
2d1cA

I

I

A

T

V

V

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

C

M

V

D

E

A

A

T

T

L

L

Q

K

V

V

L

L

D

E

A

A

L

A

D

K

I

A

K

P

F

L

N

A

Y

Y

K

E

E

V

A

R

R

E

A

A

G

G

E

A

K

S

C

V

F

F

R

R

-

G

T

I

G

A

T

S

T

G

I

V

P

P

D

Q

E

E

T

T

I

I

Q

E

I

S

A

I

K

R

D

K

C

T

D

R

A

V

S

V

L

L

F

K

G

G

A
x
P

V
x
L

T
x
E

S
x
T

I

P

-

V

-

G

R

Y

S

G

Q

E

K

K

S

S

A

A

I
x
N

I

V

T

T

L

L

R

R

K

K

E

L

L

F

D

E

L

T

Y

Y

A

A

N

N

L

V

R

R

P

P

V

V

K

R

S

E

Y

F

P

P

G

N

V

V

K

P

S

T

I

P

F

Y

-

A

-

G

K

R

D

G

L

I

D

D

F

L

I

V

V

V

R

R

E

E

N

N

T

V

E

E

G

D

L

L

Y
|
Y

S

A

G

G

I

I

E

E

K

H

-

M

E

Q

T

T

E

P

G

S

G

V

A

A

T

Q

A

T

T

L

R

K

I

L

I

I

T

S

T

W

K

K

A

G

S

S

E

E

R

K

I

I

C

V

K

R

F

F

A

A

F

F

E

E

Y

L

A

A

K

R

E

A

N

E

G

G

R

R

N

K

R

K

V

V

S

H

A

C

V

A

H

T

K
|
K

A

S

N

N

V

I

L

M

K

K

K

L

T

A

D

E

G

G

L

T

F

L

K

K

D

R

T

A

F

F

Y

E

N

Q

V

V

A

A

E

Q

G

E

Y

Y

D

P

G

D

I

I

E

E

T

A

N

V

D

H

F

I

Y
x
I

V

V

D
|
D

A
x
N

T

A

A

A

M

H

F
x
Q

F

L

I

V

T

K

K

R

P

P

Q

E

M

Q

F

F

D

E

V

V

I

I

V

V

T

T

N

N

L

M

Y

N

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

L

G

T

A

S

G

G

L

L

V

I

G

G

L
|
L

G
|
G

L

F

I

A

P

P

S

S

A

A

N

N

I

I

G

G

K

N

N

E

N

V

G

A

L

I

F

F

E

E

P

A

V

V

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D
x
K

I
x
Y

A

A

G

G

K

K

N

N

I

V

A
x
I

N
|
N

P

P

S

T

A

A

M

V

I

L

L

L

S

S

A

A

V

V

M

M

L

L

D

R

Y

Y

L

L

K

E

E

E

H

F

D

A

A

T

A

A

R

D

K

L

V

I

E

E

N

N

A

A

L

L

M

L

K

Y

V

T

L

L

S

E

E

E

R

G

K

R

V

V

V

L

T

T

C

G

D
|
D

C

V

G

V

G

G

active site: Y143 (= Y121), K190 (= K167), D223 (= D200), D247 (= D224), D251 (= D228)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P86 (≠ A68), L87 (≠ V69), E88 (≠ T70), T89 (≠ S71), N99 (≠ I79), I221 (≠ Y198), N224 (≠ A201), Q228 (≠ F205), L260 (= L237), G261 (= G238), H279 (= H256), G280 (= G257), S281 (= S258), A282 (= A259), K284 (≠ D261), Y285 (≠ I262), I291 (≠ A268), N292 (= N269), D333 (= D310)

4y1pB Crystal structure of 3-isopropylmalate dehydrogenase (saci_0600) from sulfolobus acidocaldarius complex with 3-isopropylmalate and mg2+ (see paper)
45% identity, 98% coverage: 4:328/331 of query aligns to 4:335/336 of 4y1pB

query
sites
4y1pB

I

V

A

A

V

L

I

I

P

Q

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

V

M

V

D

S

A

K

T

S

L

K

Q

T

V

I

L

L

D

A

A

R

L

L

D

N

I

E

K

K

F

F

N

S

-

L

-

P

-

I

-

E

Y

Y

K

I

E

E

A

V

R

E

A

A

G

G

E

D

K

T

C

T

F

K

R

N

R

K

T

F

G

G

T

D

T

A

I

L

P

P

D

K

E

D

T

S

I

L

Q

R

I

V

A

I

K

E

D

K

C

A

D

D

A

M

S

I

L

L

F

K

G

G

A

P

V

V

T

G

S

-

I

-

R

E

S

T

Q

A

K
x
A

S

D

A

V

I

V

T

K

L

L

R
|
R

K

L

E

M

L

Y

D

D

L

L

Y

Y

A

A

N

N

L

L

R
|
R

P

P

V

A

K

K

S

S

Y

L

P

P

G

G

V

L

K

E

S

N

I

K

F

F

K

G

D

D

L

V

D

D

F

I

I

L

I

V

V

V

R
|
R

E

E

N

N

T

T

E

E

G

D

L

L

Y
|
Y

S

K

G

G

I

L

E

E

K

H

E

V

T

I

E

S

G

D

G

G

A

V

T

T

-

V

A

G

T

I

R

K

I

V

I

I

T

T

T

R

K

A

A

A

S

S

E

T

R

R

I

I

C

A

K

Q

F

V

A

A

F

L

E

N

Y

Q

A

A

K

L

E

R

N

R

G

-

R

K

N

K

R

K

V

V

S

V

A

C

V

V

H

H

K
|
K

A

S

N

N

V

V

L

M

K

R

K

I

T

T

D

D

G

G

L

L

F

F

K

A

D

E

T

S

F

C

Y

R

N

N

V

V

A

L

E

K

G

G

Y

K

D

-

G

-

I

V

E

E

T

Y

N

S

D

E

F

M

Y

Y

V

V

D
|
D

A

A

T

A

A

A

M

A

F

N

F

L

I

V

T

R

K

N

P

P

Q

Q

M

A

F

F

D

D

V

V

I

I

V

V

T

T

T

E

N

N

L

T

Y

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

G

A

A

G

G

Q

L

I

V

A

G

G

G

S

L

L

G

G

L

I

I

S

P

P

S

S

A

A

N

N

I

I

G

G

K

D

N

R

N

K

G

S

L

L

F

F

E

E

P

P

V

V

H

H

G

G

S

A

A

A

P

F

D

D

I

I

A

A

G

G

K

K

N

N

I

I

A

A

N

N

P

P

S

T

A

A

M

F

I

L

L

L

S

S

A

V

V

G

M

M

L

L

D

D

Y

R

L

M

K

Q

E

E

-

L

-

S

-

G

-

D

-

I

-

R

-

Y

H

N

D

N

A

A

R

K

K

S

V

L

E

R

N

D

A

A

L

I

M

Y

K

S

V

V

L

Y

S

S

E

E

R

G

K

K

V

Y

V

L

T

T

C

P

D

D

C

V

G

G

S

S

A

S

T

T

M

D

E

E

M

M

A

I

L

S

E

A

V

I

K

R

S

S

K

K

I

I

active site: Y123 (= Y121), K169 (= K167), D200 (= D200), D224 (= D224), D228 (= D228)
binding 3-isopropylmalic acid: A78 (≠ K76), R85 (= R83), R95 (= R93), R116 (= R114), Y123 (= Y121), D224 (= D224)

P40495 Homoisocitrate dehydrogenase, mitochondrial; HIcDH; EC 1.1.1.87 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
44% identity, 98% coverage: 4:328/331 of query aligns to 26:371/371 of P40495

query
sites
P40495

I

I

A

G

V

L

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

K

E

E

V

V

M

I

D

P

A

A

T

G

L

K

Q

Q

V

V

L

L

D

E

A

N

L

L

D

N

I

S

K

K

-

H

-

G

-

L

-

S

F

F

N

N

Y

F

K

I

E

D

A

L

R

Y

A

A

G

G

E

F

K

Q

C

T

F

F

R

Q

R

E

T

T

G

G

T

K

T

A

I

L

P

P

D

D

E

E

T

T

I

V

Q

K

I

V

A

L

K

K

D

E

-

Q

C

C

D

Q

A

G

S

A

L

L

F

F

G

G

A

A

V

V

-

Q

-

S

-

P

-

T

T

T

S

K

I

V

R

E

S

G

Q

Y

K

S

S

S

A

P

I

I

I

V

T

A

L

L

R

R

K

R

E

E

L

M

D

G

L

L

Y

F

A

A

N

N

L

V

R

R

P

P

V

V

K

K

S

S

Y

V

P

E

G

G

V

E

K

K

S

G

I

-

F

-

K

K

D

P

L

I

D

D

F

M

I

V

I

I

V

V

R

R

E

E

N

N

T

T

E

E

G

D

L

L

Y
|
Y

S

I

G

K

I

I

E

E

K

K

E

T

T

Y

E

I

G

D

G

K

A

A

T

T

A

G

T

T

R

R

I

V

-

A

-

D

-

A

-

T

-

K

-

R

I

I

T

S

T

E

K

I

A

A

S

T

E

R

R

R

I

I

C

A

K

T

F

I

A

A

F

L

E

D

Y

I

A

A

-

L

-

K

-

R

-

L

K

Q

E

T

N

R

G

G

R

Q

N

A

R

T

V

L

S

T

A

V

V

T

H

H

K
|
K

A

S

N

N

V

V

L

L

K

S

K

Q

T

S

D

D

G

G

L

L

F

F

K

R

D

E

T

I

F

C

Y

K

N

E

V

V

A

Y

E

E

G

S

-

N

-

K

-

D

-

K

Y

Y

D

G

G

Q

I

I

E

K

T

Y

N

N

D

E

F

Q

Y

I

V

V

D

D

A

S

T

M

A

V

M

Y

F

R

F

L

I

F

T

R

K

E

P

P

Q

Q

M

C

F

F

D

D

V

V

I

I

V

V

T

A

T

P

N

N

L

L

Y

Y

G

G

D

D

I

I

L

L

S

S

D

D

E

G

G

A

A

A

G

A

L

L

V

V

G

G

G

S

L

L

G

G

L

V

I

V

P

P

S

S

A

A

N

N

I

V

G

G

K

P

N

E

N

I

G

V

L

I

F

G

E

E

P

P

V

C

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

G

I

I

A

A

N

N

P

P

S

I

A

A

M

T

I

I

L

R

S

S

A

T

V

A

M

L

M

M

L

L

D

E

Y

F

L

L

K

G

E

H

H

N

D

E

A

A

R

Q

K

D

V

I

E

Y

N

K

A

A

L

V

M

D

K

A

V

N

L

L

S

R

E

E

R

G

K

S

V

I

V

K

T

T

C

P

D

D

C

L

G

G

S

K

A

A

T

S

T

T

M

Q

E

Q

M

V

A

V

L

D

E

D

V

V

K

L

S

S

K

R

I

L

Y150 (= Y121) mutation to F: Strongly reduced enzyme activity.
K206 (= K167) mutation to M: Strongly reduced enzyme activity.

8grdA Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human idh3 in complex with adp and mg (see paper)
42% identity, 98% coverage: 4:329/331 of query aligns to 4:324/325 of 8grdA

query
sites
8grdA

I

V

A

T

V

L

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

I

M

S

D

A

A

A

T

V

L

M

Q

K

V

I

L

F

D

D

A

A

L

A

D

K

I

A

K

P

F

I

N

Q

Y

W

K

E

E

E

A

-

R

-

A

-

G

-

E

R

K

N

C

V

F

T

R

A

R

I

T

Q

G

G

T

W

T

M

I

I

P

P

D

S

E

E

T

A

I

-

Q

-

I

-

A

K

K

E

D

S

C

M

D

D

A

K

S

N

L

K

F

M

G

G

A

L

V

K

T

G

S

P

I

L

R

K

S

T

Q

P

K

P

S

S

A

M

I

N

I

L

T

L

L

L

R

R

K

K

E

T

L

F

D

D

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

C

K

V

S

S

Y

I

P

E

G

G

V

Y

K

K

S

T

I

P

F

Y

K

T

D

D

L

V

D

N

F

I

I

V

I

T

V

I

R

R

E

E

N

N

T

T

E

E

G

G

L

E

Y

Y

S

S

G

G

I

I

E

E

K

H

E

V

T

I

E

V

G

D

G

G

A

V

T

V

A

A

T

S

-

I

R

K

I

L

I

I

T

T

T

E

K

G

A

A

S

S

E

K

R

R

I

I

C

A

K

E

F

F

A

A

F

F

E

E

Y

Y

A

A

K

R

E

N

N

N

G

H

R

R

N

S

R

N

V

V

S

T

A

A

V

V

H

H

K

K

A

A

N

N

V

I

L

M

K

R

K

M

T

S

D

D

G

G

L

L

F

F

K

L

D

Q

T

K

F

C

Y

R

N

E

V

V

A

A

E

E

G

S

Y

C

D

K

G

D

I

I

E

K

T

F

N

N

D

E

F

M

Y
|
Y

V

L

D

D

A
x
T

T

V

A

C

M

L

F

N

F

M

I

V

T

Q

K

D

P

P

Q

S

M

Q

F

F

D

D

V

V

I

L

V

V

T

M

T

P

N

N

L

L

Y

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

L

G

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

S

S

A

G

N

N

I

I

G

G

K

A

N

N

N

G

-

V

G

A

L

I

F

F

E

E

P

S

V

V

H

H

G

G

S

T

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

D

I

M

A

A

N

N

P

P

S

T

A

A

M

L

I

L

L

L

S

S

A

A

V

V

M

M

L

L

D

R

Y

H

L

M

K

G

E

L

H

F

D

D

A

H

A

A

R

A

K

R

V

I

E

E

N

A

A

A

L

C

M

F

K

A

V

T

L

I

S

K

E

D

R

G

K

K

V

S

V

L

T

T

C

K

D

D

C

L

G

G

S

N

A

A

T

K

T

C

M

S

E

D

M

F

A

T

L

E

E

E

V

I

K

C

S

R

K

R

I

V

E

K

binding adenosine-5'-diphosphate: Y192 (= Y198), T195 (≠ A201)
binding magnesium ion: D218 (= D224), D222 (= D228)

5greA Crystal structure of the alpha gamma heterodimer of human idh3 in complex with mg(2+), citrate and adp (see paper)
42% identity, 98% coverage: 4:329/331 of query aligns to 4:323/325 of 5greA

query
sites
5greA

I

V

A

T

V

L

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

I

M

S

D

A

A

A

T

V

L

M

Q

K

V

I

L

F

D

D

A

A

L

A

D

K

I

A

K

P

F

I

N

Q

Y

W

K

E

E

E

A

-

R

-

A

-

G

-

E

-

K

R

C

N

F

V

R

T

R

A

T

I

G

Q

T

W

T

M

I

I

P

P

D

S

E

E

T

A

I

-

Q

-

I

-

A

K

K

E

D

S

C

M

D

D

A

K

S

N

L

K

F

M

G

G

A

L

V

K

T

G

S

P

I

L

R

K

S

T

Q

P

K

P

S

S

A

M

I

N

I

L

T

L

L

L

R

R

K

K

E

T

L

F

D

D

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

C

K

V

S

S

Y

I

P

E

G

G

V

Y

K

K

S

T

I

P

F

Y

K

T

D

D

L

V

D

N

F

I

I

V

I

T

V

I

R

R

E

E

N

N

T

T

E

E

G

G

L

E

Y
|
Y

S

S

G

G

I

I

E

E

K

H

E

V

-

I

T

V

E

D

G

G

G

V

A

V

T

Q

A

S

T

I

R

K

I

L

I

I

T

T

T

E

K

G

A

A

S

S

E

K

R

R

I

I

C

A

K

E

F

F

A

A

F

F

E

E

Y

Y

A

A

K

R

E

N

N

N

G

H

R

R

N

S

R

N

V

V

S

T

A

A

V

V

H

H

K
|
K

A

A

N

N

V

I

L

M

K

R

K

M

T

S

D

D

G

G

L

L

F

F

K

L

D

Q

T

K

F

C

Y

R

N

E

V

V

A

A

E

E

G

S

Y

C

D

K

G

D

I

I

E

K

T

F

N

N

D

E

F

M

Y

Y

V

L

D
|
D

A

T

T

V

A

C

M

L

F

N

F

M

I

V

T

Q

K

D

P

P

Q

S

M

Q

F

F

D

D

V

V

I

L

V

V

T

M

T

P

N

N

L

L

Y

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

L

G

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

S

S

A

G

N

N

I

I

G

G

K

A

N

N

N

G

-

V

G

A

L

I

F

F

E

E

P

S

V

V

H

H

G

G

S

T

A

A

P

P

D

D

I

I

A

A

G

G

K

K

N

D

I

M

A

A

N

N

P

P

S

T

A

A

M

L

I

L

L

L

S

S

A

A

V

V

M

M

L

L

D

R

Y

H

L

M

K

G

E

L

H

F

D

D

A

H

A

A

R

A

K

R

V

I

E

E

N

A

A

A

L

C

M

F

K

A

V

T

L

I

S

K

E

D

R

G

K

K

V

S

V

L

T

T

C

K

D

D

C

L

G

G

S

N

A

A

T

K

T

C

M

S

E

D

M

F

A

T

L

E

E

E

V

I

K

C

S

R

K

R

I

V

E

K

active site: Y113 (= Y121), K160 (= K167), D193 (= D200), D217 (= D224), D221 (= D228)
binding magnesium ion: D217 (= D224), D221 (= D228)

5yvtA Crystal structure of the alpha gamma heterodimer of human idh3 in complex with mg(2+) and nadh (see paper)
42% identity, 98% coverage: 4:329/331 of query aligns to 4:331/332 of 5yvtA

query
sites
5yvtA

I

V

A

T

V

L

I

I

P

P

G

G

D

D

G

G

I

I

G

G

K

P

E

E

V

I

M

S

D

A

A

A

T

V

L

M

Q

K

V

I

L

F

D

D

A

A

L

A

D

K

I

A

K

P

F

I

N

Q

Y

W

K

E

E

E

A

R

R

N

A

V

G

T

E

A

K

I

C

Q

F

G

R

P

R

G

T

G

G

K

T

W

T

M

I

I

P

P

D

S

E

E

T

A

I

K

Q

E

I

S

A

M

K

D

D

K

C

N

D

K

A

M

S

G

L

L

F

K

G

G

A

P

V
x
L

T

K

S
x
T

I

P

R

I

S

A

Q

A

K

P

S

S

A

M

I
x
N

I

L

T

L

L

L

R

R

K

K

E

T

L

F

D

D

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

C

K

V

S

S

Y

I

P

E

G

G

V

Y

K

K

S

T

I

P

F

Y

K

T

D

D

L

V

D

N

F

I

I

V

I

T

V

I

R

R

E

E

N

N

T

T

E

E

G

G

L

E

Y
|
Y

S

S

G

G

I

I

E

E

K

H

E

V

-

I

T

V

E

D

G

G

G

V

A

V

T

Q

A

S

T

I

R

K

I

L

I

I

T

T

T

E

K

G

A

A

S

S

E

K

R

R

I

I

C

A

K

E

F

F

A

A

F

F

E

E

Y

Y

A

A

K

R

E

N

N

N

G

H

R

R

N

S

R

N

V

V

S

T

A

A

V

V

H

H

K
|
K

A

A

N
|
N

V

I

L

M

K

R

K

M

T

S

D

D

G

G

L

L

F

F

K

L

D

Q

T

K

F

C

Y

R

N

E

V

V

A

A

E

E

G

S

Y

C

D

K

G

D

I

I

E

K

T

F

N

N

D

E

F

M

Y

Y

V

L

D
|
D

A

T

T

V

A

C

M

L

F

N

F

M

I

V

T

Q

K

D

P

P

Q

S

M

Q

F

F

D

D

V

V

I

L

V

V

T

M

T

P

N

N

L

L

Y

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

L

G

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

S

S

A

G

N

N

I

I

G

G

K

A

N

N

N

G

-

V

G

A

L

I

F

F

E
|
E

P

S

V
|
V

H
|
H

G
|
G

S

T

A

A

P

P

D

D

I
|
I

A

A

G

G

K

K

N

D

I

M

A

A

N
|
N

P

P

S

T

A

A

M

L

I

L

L

L

S

S

A

A

V

V

M

M

L

L

D

R

Y

H

L

M

K

G

E

L

H

F

D

D

A

H

A

A

R

A

K

R

V

I

E

E

N

A

A

A

L

C

M

F

K

A

V

T

L

I

S

K

E

D

R

G

K

K

V

S

V

L

T

T

C

K

D
|
D

C

L

G

G

S

N

A

A

T

K

T

C

M

S

E

D

M

F

A

T

L

E

E

E

V

I

K

C

S

R

K

R

I

V

E

K

active site: Y121 (= Y121), K168 (= K167), D201 (= D200), D225 (= D224), D229 (= D228)
binding magnesium ion: D225 (= D224), D229 (= D228)
binding 1,4-dihydronicotinamide adenine dinucleotide: L69 (≠ V69), T71 (≠ S71), N79 (≠ I79), N170 (= N169), D201 (= D200), E255 (= E253), V257 (= V255), H258 (= H256), G259 (= G257), I264 (= I262), N271 (= N269), D312 (= D310)

3ty3A Crystal structure of homoisocitrate dehydrogenase from schizosaccharomyces pombe bound to glycyl-glycyl-glycine (see paper)
42% identity, 99% coverage: 4:330/331 of query aligns to 5:358/358 of 3ty3A

query
sites
3ty3A

I

L

A

G

V

L

I

I

P

P

G

A

D

D

G

G

I

I

G

G

K

K

E

E

V

V

M

V

D

P

A

A

T

A

L

R

Q

R

V

L

L

M

D

E

A

N

L

L

D

P

-

A

-

K

-

H

-

K

I

L

K

K

F

F

N

D

Y

F

K

I

E

D

A

L

R

D

A

A

G

G

E

W

K

G

C

T

F

F

R

E

R

R

T

T

G

G

T

K

T

A

I

L

P

P

D

E

E

R

T

T

I

V

Q

E

I

R

A

L

K

K

-

T

D

E

C

C

D

N

A

A

S

A

L

L

F

F

G

G

A
|
A

V
|
V

T

Q

S
|
S

-

P

-

T

-

H

-

K

I

V

R

A

S

G

Q

Y

K

S

S

S

A

P

I

I

I

V

T

A

L

L

R
|
R

K

K

E

K

L

M

D

G

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

V

K

K

S

S

Y

L

P

D

G

G

V

A

K

K

S

G

I

-

F

-

K

K

D

P

L

V

D

D

F

L

I

V

I

I

V

V

R

R

E

E

N

N

T

T

E

E

G

C

L

L

Y
|
Y

S

V

G

K

I

E

E

E

K

R

E

M

T

V

E

Q

G

N

G

T

-

P

-

G

-

K

-

R

-

V

A

A

T

E

A

A

T

I

R

R

I

R

I

I

T

S

T

E

K

E

A

A

S

S

E

T

R

K

I

I

C

G

K

K

F

M

A

A

F

F

E

E

Y

I

A

A

K

K

E

S

N

R

G

Q

R

K

N

I

R

R

-

E

-

S

-

G

-

T

-

Y

-

S

-

I

-

H

-

K

-

P

-

L

V

V

S

T

A

I

V

I

H

H

K
|
K

A

S

N

N

V

V

L

M

K

S

K

V

T

T

D

D

G

G

L

L

F

F

K

R

D

E

T

S

F

C

Y

R

N

H

V

A

A

Q

E

S

-

L

-

D

-

P

G

S

Y

Y

D

A

G

S

I

I

E

N

T

V

N

D

D

E

F

Q

Y

I

V

V

D
|
D

A

S

T

M

A

V

M

Y

F

R

F

L

I

F

T

R

K

E

P

P

Q

E

M

C

F

F

D

D

V

V

I

V

V

V

T

A

T

P

N

N

L

L

Y

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

G

G

A

A

A

G

S

L

L

V

I

G

G

G

S

L

L

G

G

L

L

I

V

P

P

S

S

A

A

N

N

I

V

G

G

K

D

N

N

N

F

G

V

L

M

F

S

E
|
E

P
|
P

V

V

H
|
H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

R

N

G

I

I

A

A

N

N

P

P

S

V

A

A

M

T

I

F

L

R

S

S

A

V

V

A

M

L

M

M

L

L

D

E

Y

F

L

M

K

G

E

H

H

Q

D

D

A

A

R

A

K

D

V

I

E

Y

N

T

A

A

L

V

M

D

K

K

V

V

L

L

S

T

E

E

R

G

K

K

V

V

V

L

T

T

C

P

D

D

C

L

G

G

S

K

A

S

T

G

T

T

M

N

E

E

M

I

A

T

L

D

E

A

V

V

K

L

S

A

K

N

I

I

E

H

S

N

active site: Y129 (= Y121), K192 (= K167), D228 (= D200), D252 (= D224), D256 (= D228)
binding glycylglycylglycine: A74 (= A68), V75 (= V69), S77 (= S71), R93 (= R83), E281 (= E253), P282 (= P254), H284 (= H256)

O14104 Homoisocitrate dehydrogenase; HICDH; EC 1.1.1.87 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
42% identity, 99% coverage: 4:330/331 of query aligns to 9:362/362 of O14104

query
sites
O14104

I

L

A

G

V

L

I

I

P

P

G

A

D

D

G

G

I

I

G

G

K

K

E

E

V

V

M

V

D

P

A

A

T

A

L

R

Q

R

V

L

L

M

D

E

A

N

L

L

D

P

-

A

-

K

-

H

-

K

I

L

K

K

F

F

N

D

Y

F

K

I

E

D

A

L

R

D

A

A

G

G

E

W

K

G

C

T

F

F

R

E

R

R

T

T

G

G

T

K

T

A

I

L

P

P

D

E

E

R

T

T

I

V

Q

E

I

R

A

L

K

K

-

T

D

E

C

C

D

N

A

A

S

A

L

L

F

F

G

G

A

A

V

V

T

Q

S
|
S

-

P

-

T

-

H

-

K

I

V

R

A

S

G

Q

Y

K

S

S
|
S

A

P

I

I

I

V

T

A

L

L

R

R

K

K

E

K

L

M

D

G

L

L

Y

Y

A

A

N

N

L

V

R

R

P

P

V

V

K

K