SitesBLAST

P50213 Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial; Isocitric dehydrogenase subunit alpha; NAD(+)-specific ICDH subunit alpha; EC 1.1.1.41 from Homo sapiens (Human) (see 5 papers)
46% identity, 99% coverage: 1:333/336 of query aligns to 31:364/366 of P50213

query
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P50213

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R115 (= R85) binding substrate
A122 (= A92) to T: in RP90; uncertain significance; dbSNP:rs756333430
R125 (= R95) binding substrate
R146 (= R116) binding substrate
E152 (≠ L122) mutation to A: No significant effect on the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate and ADP.
Y153 (= Y123) Critical for catalysis; mutation to F: Complete loss of activity of the heterotetramer, heterodimer composed of IDH3A and IDH3B subunits and the heterodimer composed of IDH3A and IDH3G subunits with no effect on their oligomeric states.
K169 (≠ A141) mutation to A: Significantly impairs the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate and ADP.
A175 (≠ S147) to V: in RP90; uncertain significance; dbSNP:rs765473830
K200 (= K172) Critical for catalysis; mutation to A: Significantly impairs the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate.
N202 (= N174) mutation to A: Significantly impairs the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate.
M204 (≠ L176) to I: in RP90; uncertain significance
D208 (≠ Q180) mutation to A: Complete loss of the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate and ADP.
D233 (= D205) binding Mg(2+)
M239 (= M211) to T: in RP90; uncertain significance; dbSNP:rs2074707744
Y255 (≠ F227) mutation to A: Significantly impairs the activation of the heterodimer composed of IDH3A and IDH3G subunits by citrate and ADP.
D257 (= D229) binding Mg(2+)
D261 (= D233) binding Mg(2+)
P304 (= P275) to H: in RP90; uncertain significance; dbSNP:rs756712426
M313 (= M284) to T: in RP90; uncertain significance; dbSNP:rs149862950
R316 (≠ T287) to C: in RP90; uncertain significance; dbSNP:rs770798851

Q9D6R2 Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial; Isocitric dehydrogenase subunit alpha; NAD(+)-specific ICDH subunit alpha; EC 1.1.1.41 from Mus musculus (Mouse) (see paper)
46% identity, 99% coverage: 1:333/336 of query aligns to 31:364/366 of Q9D6R2

query
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Q9D6R2

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E229 (= E201) mutation to K: Homozygous mutant mice exhibit retinal degeneration.

5yvtA Crystal structure of the alpha gamma heterodimer of human idh3 in complex with mg(2+) and nadh (see paper)
46% identity, 99% coverage: 1:333/336 of query aligns to 1:332/332 of 5yvtA

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5yvtA

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D

active site: Y121 (= Y123), K168 (= K172), D201 (= D205), D225 (= D229), D229 (= D233)
binding magnesium ion: D225 (= D229), D229 (= D233)
binding 1,4-dihydronicotinamide adenine dinucleotide: L69 (= L69), T71 (= T71), N79 (= N81), N170 (= N174), D201 (= D205), E255 (= E258), V257 (= V260), H258 (= H261), G259 (= G262), I264 (= I267), N271 (= N274), D312 (= D315)

6l59A Crystal structure of the alpha gamma heterodimer of human idh3 in complex with cit, mg and atp binding at allosteric site and mg, atp binding at active site. (see paper)
46% identity, 99% coverage: 1:333/336 of query aligns to 1:323/325 of 6l59A

query
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6l59A

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A

F

F

K

E

Y

Y

A

A

L

R

D

N

N

N

D

H

R

R

Q

S

K

N

V

V

T

T

V

A

C

V

H

H

K
|
K

A

A

N

N

I

I

L

M

K

R

F

M

T

S

Q

D

G

G

L

L

F

F

L

L

N

Q

T

K

A

C

R

R

E

E

V

V

A

A

K

E

K

S

Y

C

P

K

Q

D

I

I

E

K

F

F

D

N

E

E

K

M

I

Y

I

L

D
|
D

A

T

A

V

C

C

M

L

H

N

M

M

V

V

M

Q

K

D

P

P

E

S

Q

Q

F

F

D

D

V

V

V

L

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

G

S

A

G

N

N

I

I

G

G

T

A

D

N

A

G

-

V

A

A

L

I

F

F

E

E

A

S

V

V

H
|
H

G
|
G

S
x
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

T

T

A

A

V

L

M

L

A

S

G

A

V

V

M

M

L

L

T

R

H

H

L

M

G

G

E

L

H

F

D

D

A

H

G

A

M

A

R

R

M

I

L

E

H

A

A

A

I

C

E

F

K

A

V

T

V

I

N

K

E

D

G

G

K

K

Y

S

V

L

T

T

P

K

D
|
D

L

L

N

G

P

G

N

N

S

A

T

K

C

C

G

S

-

D

-

F

T

T

K

E

E

E

M

I

G

C

Q

R

A

R

I

V

V

K

D

D

active site: Y112 (= Y123), K159 (= K172), D192 (= D205), D216 (= D229)
binding adenosine-5'-triphosphate: I12 (= I12), H249 (= H261), G250 (= G262), T251 (≠ S263), A252 (= A264), N262 (= N274), D303 (= D315)
binding magnesium ion: D216 (= D229), D220 (= D233)

8grdA Crystal structure of a constitutively active mutant of the alpha beta heterodimer of human idh3 in complex with adp and mg (see paper)
46% identity, 99% coverage: 1:333/336 of query aligns to 1:325/325 of 8grdA

query
sites
8grdA

M

V

H

Q

N

T

V

V

T

T

L

L

I

I

K

P

G

G

D

D

G

G

I

I

G

G

P

P

S

E

I

I

M

S

D

A

A

A

A

V

V

M

A

K

V

I

I

F

D

D

A

A

S

A

G

K

A

A

K

P

I

I

N

Q

W

W

Q

E

E

E

A

R

E

N

A

-

G

-

M

V

S

T

A

A

Y

I

E

Q

K

-

T

-

G

G

T

W

P

M

L

I

P

P

D

S

A

E

T

A

M

K

Q

E

S

S

I

M

D

D

E

K

T

N

R

K

V

M

A

G

F

L

K

K

G

G

P

P

L

L

T

K

T

T

M

P

V

-

G

-

E

-

G

-

F

-

R

P

S

S

I

M

N

N

V

L

E

L

L

L

R

R

K

K

K

T

Y

F

D

D

L

L

Y

Y

A

A

N

N

V

V

R

R

P

P

A

C

K

V

S

S

W

I

P

E

G

G

V

Y

K

K

T

T

R

P

Y

Y

D

T

D

D

V

V

D

N

I

I

V

V

V

T

V

I

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y

Y

V

S

G

G

L

I

E

E

H

H

Y

V

L

I

T

V

P

-

Q

-

K

D

D

G

I

V

A

V

E

A

S

S

L

I

A

K

V

L

V

I

T

T

R

E

D

G

S

A

S

S

E

K

R

R

I

I

V

A

E

E

Y

F

A

A

F

F

K

E

Y

Y

A

A

L

R

D

N

N

N

D

H

R

R

Q

S

K

N

V

V

T

T

V

A

C

V

H

H

K

K

A

A

N

N

I

I

L

M

K

R

F

M

T

S

Q

D

G

G

L

L

F

F

L

L

N

Q

T

K

A

C

R

R

E

E

V

V

A

A

K

E

K

S

Y

C

P

K

Q

D

I

I

E

K

F

F

D

N

E

E

K

M

I
x
Y

I

L

D

D

A
x
T

A

V

C

C

M

L

H

N

M

M

V

V

M

Q

K

D

P

P

E

S

Q

Q

F

F

D

D

V

V

V

L

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

G

S

A

G

N

N

I

I

G

G

T

A

D

N

A

G

-

V

A

A

L

I

F

F

E

E

A

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

T

T

A

A

V

L

M

L

A

S

G

A

V

V

M

M

L

L

T

R

H

H

L

M

G

G

E

L

H

F

D

D

A

H

G

A

M

A

R

R

M

I

L

E

H

A

A

A

I

C

E

F

K

A

V

T

V

I

N

K

E

D

G

G

K

K

Y

S

V

L

T

T

P

K

D

D

L

L

N

G

P

G

N

N

S

A

T

K

C

C

G

S

-

D

-

F

T

T

K

E

E

E

M

I

G

C

Q

R

A

R

I

V

V

K

D

D

binding adenosine-5'-diphosphate: Y192 (≠ I203), T195 (≠ A206)
binding magnesium ion: D218 (= D229), D222 (= D233)

5greA Crystal structure of the alpha gamma heterodimer of human idh3 in complex with mg(2+), citrate and adp (see paper)
46% identity, 99% coverage: 1:333/336 of query aligns to 1:324/325 of 5greA

query
sites
5greA

M

V

H

Q

N

T

V

V

T

T

L

L

I

I

K

P

G

G

D

D

G

G

I

I

G

G

P

P

S

E

I

I

M

S

D

A

A

A

A

V

V

M

A

K

V

I

I

F

D

D

A

A

S

A

G

K

A

A

K

P

I

I

N

Q

W

W

Q

E

E

E

A

R

E

N

A

V

G

T

M

A

S

I

A

Q

Y

W

E

M

K

-

T

-

G

-

T

-

P

-

L

I

P

P

D

S

A

E

T

A

M

K

Q

E

S

S

I

M

D

D

E

K

T

N

R

K

V

M

A

G

F

L

K

K

G

G

P

P

L

L

T

K

T

T

M

P

V

-

G

-

E

-

G

-

F

-

R

P

S

S

I

M

N

N

V

L

E

L

L

L

R

R

K

K

K

T

Y

F

D

D

L

L

Y

Y

A

A

N

N

V

V

R

R

P

P

A

C

K

V

S

S

W

I

P

E

G

G

V

Y

K

K

T

T

R

P

Y

Y

D

T

D

D

V

V

D

N

I

I

V

V

V

T

V

I

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y
|
Y

V

S

G

G

L

I

E

E

H

H

Y

V

L

I

T

V

P

-

Q

-

K

D

D

G

I

V

A

V

E

Q

S

S

L

I

A

K

V

L

V

I

T

T

R

E

D

G

S

A

S

S

E

K

R

R

I

I

V

A

E

E

Y

F

A

A

F

F

K

E

Y

Y

A

A

L

R

D

N

N

N

D

H

R

R

Q

S

K

N

V

V

T

T

V

A

C

V

H

H

K
|
K

A

A

N

N

I

I

L

M

K

R

F

M

T

S

Q

D

G

G

L

L

F

F

L

L

N

Q

T

K

A

C

R

R

E

E

V

V

A

A

K

E

K

S

Y

C

P

K

Q

D

I

I

E

K

F

F

D

N

E

E

K

M

I

Y

I

L

D
|
D

A

T

A

V

C

C

M

L

H

N

M

M

V

V

M

Q

K

D

P

P

E

S

Q

Q

F

F

D

D

V

V

V

L

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

C

A

A

G

G

L

L

V

I

G

G

L

L

G

G

L

V

I

T

P

P

G

S

A

G

N

N

I

I

G

G

T

A

D

N

A

G

-

V

A

A

L

I

F

F

E

E

A

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

T

T

A

A

V

L

M

L

A

S

G

A

V

V

M

M

L

L

T

R

H

H

L

M

G

G

E

L

H

F

D

D

A

H

G

A

M

A

R

R

M

I

L

E

H

A

A

A

I

C

E

F

K

A

V

T

V

I

N

K

E

D

G

G

K

K

Y

S

V

L

T

T

P

K

D

D

L

L

N

G

P

G

N

N

S

A

T

K

C

C

G

S

-

D

-

F

T

T

K

E

E

E

M

I

G

C

Q

R

A

R

I

V

V

K

D

D

active site: Y113 (= Y123), K160 (= K172), D193 (= D205), D217 (= D229), D221 (= D233)
binding magnesium ion: D217 (= D229), D221 (= D233)

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)
47% identity, 99% coverage: 2:335/336 of query aligns to 3:331/334 of Q72IW9

query
sites
Q72IW9

H

Y

N

R

V

I

T

C

L

L

I

I

K

E

G

G

D

D

G

G

I

I

G

G

P

H

S

E

I

V

M

I

D

P

A

A

V

R

A

R

V

V

I

L

D

E

A

A

S

T

G

G

A

L

K

P

I

L

N

E

W

F

Q

V

E

E

A

A

E

E

A

A

G

G

M

W

S

E

A

T

Y

F

E

E

K

R

T

R

G

G

T

T

P

S

L

V

P

P

D

E

A

E

T

T

M

V

Q
x
E

S

K

I

I

D

L

E

S

T

C

R

H

V

A

A

T

F

L

K

F

G

G

P

A

L
x
A

T
|
T

T
x
S

M

P

V

T

G

R

E

K

-

V

-

P

G

G

F

F

R

F

S

G

I

A

N

I

V
x
R

E
x
Y

L

L

R
|
R

K

R

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R
|
R

P

P

A

A

K

K

S

S

W

R

P

P

G

V

V

P

K

G

T

S

R

R

Y

-

D

P

D

G

V

V

D

D

I

L

V

V

V

I

V

V

R
|
R

E

E

N

N

T

T

Q

E

G

G

L

L

Y
|
Y

V

V

G

E

L

Q

E

E

H

R

-

R

Y

Y

L

L

T

-

P

-

Q

-

K

-

D

D

I
x
V

A

A

E

I

S

A

L

D

A

A

V

V

V

I

T

S

R

K

D

K

S

A

S

S

E

E

R

R

I

I

V

G

E

R

Y

A

A

A

F

L

K

R

Y

I

A

A

L

E

D

G

N

R

D

P

R

R

Q

K

K

T

V

L

T

H

V

I

C

A

H

H

K
|
K

A

A

N
|
N

I

V

L

L

K

P

F

L

T

T

Q

Q

G

G

L

L

F

F

L

L

N

D

T

T

A

V

R

K

E

E

V

V

A

A

K

K

K

D

Y

F

P

P

Q

L

I

V

E

N

F

V

D

Q

E

D

K

I

I

I

I

V

D
|
D

A

N

A

C

C

A

M
|
M

H

Q

M

L

V

V

M

M

K

R

P

P

E

E

Q

R

F
|
F

D

D

V

V

V

I

V

V

T

T

N

N

M

L

F

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

A

A

A

G

G

L

L

V
|
V

G

G

L

L

G

G

L

L

I

A

P

P

G

S

A

G

N

N

I

I

G

G

T

D

D

T

A

T

A

A

L

V

F

F

E

E

A

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

T

T

A

A

V

A

M

I

M

L

A

S

G

A

V

A

M

M

L

L

T

D

H

Y

L

L

G

G

E

E

H

K

D

E

A

A

G

A

M

K

R

R

M

V

L

E

H

K

A

A

I

V

E

D

K

L

V

V

V

L

N

E

E

R

G

G

K

P

Y
x
R

V

-

T

T

P

P

D

D

L

L

N

G

P

G

N

D

S

A

T

T

C

-

G

-

T

T

K

E

E

A

M

F

G

T

Q

E

A

A

I

V

V

V

D

E

A

A

M

L

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 (≠ LTT 69:71) binding NADH
S72 (≠ T71) 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 (≠ V82) 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 (≠ E83) 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 (= R85) binding in other chain
R98 (= R95) binding in other chain
R118 (= R116) binding in other chain
Y125 (= Y123) binding in other chain; mutation to A: Reduces catalytic efficiency with isocitrate.
V135 (≠ I136) mutation to M: Formation of homodimers instead of homotetramers. Increased affinity for isocitrate. Reduces enzyme activity with isocitrate.
K171 (= K172) binding (2R,3S)-homoisocitrate
N173 (= N174) binding (2R,3S)-homoisocitrate; binding NADH
D204 (= D205) binding Mg(2+)
M208 (= M209) 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 (= F218) 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 (= D229) binding Mg(2+)
D232 (= D233) binding Mg(2+)
V238 (= V239) 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 262:266) binding NADH
N273 (= N274) binding NADH
R310 (≠ Y311) 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
47% identity, 99% coverage: 2:335/336 of query aligns to 2:330/333 of 4yb4A

query
sites
4yb4A

H

Y

N

R

V

I

T

C

L

L

I

I

K

E

G

G

D

D

G

G

I
|
I

G

G

P

H

S

E

I

V

M

I

D

P

A

A

V

R

A

R

V

V

I

L

D

E

A

A

S

T

G

G

A

L

K

P

I

L

N

E

W

F

Q

V

E

E

A

A

E

E

A

A

G

G

M

W

S

E

A

T

Y

F

E

E

K

R

T

R

G

G

T

T

P

S

L

V

P

P

D

E

A

E

T

T

M

V

Q

E

S

K

I

I

D

L

E

S

T

C

R

H

V

A

A

T

F

L

K

F

G

G

P

A

L
x
A

T
|
T

T
x
S

M

P

V

T

G

R

E

K

-

V

-

P

G

G

F

F

R

F

S

G

I

A

N

I

V
x
R

E

Y

L

L

R
|
R

K

R

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R
|
R

P

P

A

A

K

K

S

S

W

R

P

P

G

V

V

P

K

G

T

S

R

R

Y

-

D

P

D

G

V

V

D

D

I

L

V

V

V

I

V

V

R
|
R

E

E

N

N

T

T

Q

E

G

G

L

L

Y
|
Y

V

V

G

E

L

Q

E

E

H

R

-

R

Y

Y

L

L

T

-

P

-

Q

-

K

-

D

D

I

V

A

A

E

I

S

A

L

D

A

A

V

V

V

I

T

S

R

K

D

K

S

A

S

S

E

E

R

R

I

I

V

G

E

R

Y

A

A

A

F

L

K

R

Y

I

A

A

L

E

D

G

N

R

D

P

R

R

Q

K

K

T

V

L

T

H

V

I

C

A

H

H

K
|
K

A

A

N

N

I

V

L

L

K

P

F

L

T

T

Q

Q

G

G

L

L

F

F

L

L

N

D

T

T

A

V

R

K

E

E

V

V

A

A

K

K

K

D

Y

F

P

P

Q

L

I

V

E

N

F

V

D

Q

E

D

K

I

I
|
I

I

V

D
|
D

A
x
N

A

C

C

A

M

M

H

Q

M

L

V

V

M

M

K

R

P

P

E

E

Q

R

F

F

D

D

V

V

V

I

V

V

T

T

N

N

M

L

F

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

A

A

A

G

G

L

L

V

V

G

G

L
|
L

G

G

L

L

I

A

P

P

G

S

A

G

N

N

I

I

G

G

T

D

D

T

A

T

A

A

L

V

F

F

E
|
E

A

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

T

T

A

A

V

A

M

I

M

L

A

S

G

A

V

A

M

M

L

L

T

D

H

Y

L

L

G

G

E

E

H

K

D

E

A

A

G

A

M

K

R

R

M

V

L

E

H

K

A

A

I

V

E

D

K

L

V

V

V

L

N

E

E

R

G

G

K

P

Y

R

V

-

T

T

P

P

D
|
D

L

L

N

G

P

G

N

D

S

A

T

T

C

-

G

-

T

T

K

E

E

A

M

F

G

T

Q

E

A

A

I

V

V

V

D

E

A

A

M

L

active site: Y124 (= Y123), K170 (= K172), D203 (= D205), D227 (= D229), D231 (= D233)
binding (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid: S71 (≠ T71), R84 (≠ V82), R87 (= R85), R97 (= R95), R117 (= R116), Y124 (= Y123), D227 (= D229)
binding 1,4-dihydronicotinamide adenine dinucleotide: I12 (= I12), A69 (≠ L69), T70 (= T70), S71 (≠ T71), I201 (= I203), N204 (≠ A206), L240 (= L242), E256 (= E258), H259 (= H261), G260 (= G262), S261 (= S263), A262 (= A264), D264 (= D266), I265 (= I267), N272 (= N274), D312 (= D315)

3asjB Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
47% identity, 99% coverage: 2:335/336 of query aligns to 2:330/333 of 3asjB

query
sites
3asjB

H

Y

N

R

V

I

T

C

L

L

I

I

K

E

G

G

D

D

G

G

I

I

G

G

P

H

S

E

I

V

M

I

D

P

A

A

V

R

A

R

V

V

I

L

D

E

A

A

S

T

G

G

A

L

K

P

I

L

N

E

W

F

Q

V

E

E

A

A

E

E

A

A

G

G

M

W

S

E

A

T

Y

F

E

E

K

R

T

R

G

G

T

T

P

S

L

V

P

P

D

E

A

E

T

T

M

V

Q

E

S

K

I

I

D

L

E

S

T

C

R

H

V

A

A

T

F

L

K

F

G

G

P

A

L

A

T

T

T

S

M

P

V

T

G

R

E

K

-

V

-

P

G

G

F

F

R

F

S

G

I

A

N

I

V
x
R

E

Y

L

L

R

R

K

R

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R
|
R

P

P

A

A

K

K

S

S

W

R

P

P

G

V

V

P

K

G

T

S

R

R

Y

-

D

P

D

G

V

V

D

D

I

L

V

V

V

I

V

V

R
|
R

E

E

N

N

T

T

Q

E

G

G

L

L

Y
|
Y

V

V

G

E

L

Q

E

E

H

R

-

R

Y

Y

L

L

T

-

P

-

Q

-

K

-

D

D

I

V

A

A

E

I

S

A

L

D

A

A

V

V

V

I

T

S

R

K

D

K

S

A

S

S

E

E

R

R

I

I

V

G

E

R

Y

A

A

A

F

L

K

R

Y

I

A

A

L

E

D

G

N

R

D

P

R

R

Q

K

K

T

V

L

T

H

V

I

C

A

H

H

K
|
K

A

A

N

N

I

V

L

L

K

P

F

L

T

T

Q

Q

G

G

L

L

F

F

L

L

N

D

T

T

A

V

R

K

E

E

V

V

A

A

K

K

K

D

Y

F

P

P

Q

L

I

V

E

N

F

V

D

Q

E

D

K

I

I

I

I

V

D
|
D

A

N

A

C

C

A

M

M

H

Q

M

L

V

V

M

M

K

R

P

P

E

E

Q

R

F

F

D

D

V

V

V

I

V

V

T

T

N

N

M

L

F

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

A

A

A

G

G

L

L

V

V

G

G

L

L

G

G

L

L

I

A

P

P

G

S

A

G

N

N

I

I

G

G

T

D

D

T

A

T

A

A

L

V

F

F

E

E

A

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

T

T

A

A

V

A

M

I

M

L

A

S

G

A

V

A

M

M

L

L

T

D

H

Y

L

L

G

G

E

E

H

K

D

E

A

A

G

A

M

K

R

R

M

V

L

E

H

K

A

A

I

V

E

D

K

L

V

V

V

L

N

E

E

R

G

G

K

P

Y

R

V

-

T

T

P

P

D

D

L

L

N

G

P

G

N

D

S

A

T

T

C

-

G

-

T

T

K

E

E

A

M

F

G

T

Q

E

A

A

I

V

V

V

D

E

A

A

M

L

active site: Y124 (= Y123), K170 (= K172), D203 (= D205), D227 (= D229), D231 (= D233)
binding (2Z)-3-[(carboxymethyl)sulfanyl]-2-hydroxyprop-2-enoic acid: R84 (≠ V82), R97 (= R95), R117 (= R116), Y124 (= Y123), D227 (= D229), D231 (= D233), V258 (= V260)

3asjA Crystal structure of homoisocitrate dehydrogenase in complex with a designed inhibitor (see paper)
47% identity, 99% coverage: 2:335/336 of query aligns to 2:330/333 of 3asjA

query
sites
3asjA

H

Y

N

R

V

I

T

C

L

L

I

I

K

E

G

G

D

D

G

G

I

I

G

G

P

H

S

E

I

V

M

I

D

P

A

A

V

R

A

R

V

V

I

L

D

E

A

A

S

T

G

G

A

L

K

P

I

L

N

E

W

F

Q

V

E

E

A

A

E

E

A

A

G

G

M

W

S

E

A

T

Y

F

E

E

K

R

T

R

G

G

T

T

P

S

L

V

P

P

D

E

A

E

T

T

M

V

Q

E

S

K

I

I

D

L

E

S

T

C

R

H

V

A

A

T

F

L

K

F

G

G

P

A

L

A

T

T

T

S

M

P

V

T

G

R

E

K

-

V

-

P

G

G

F

F

R

F

S

G

I

A

N

I

V

R

E

Y

L

L

R

R

K

R

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R
|
R

P

P

A

A

K

K

S

S

W

R

P

P

G

V

V

P

K

G

T

S

R

R

Y

-

D

P

D

G

V

V

D

D

I

L

V

V

V

I

V

V

R
|
R

E

E

N

N

T

T

Q

E

G

G

L

L

Y
|
Y

V

V

G

E

L

Q

E

E

H

R

-

R

Y

Y

L

L

T

-

P

-

Q

-

K

-

D

D

I

V

A

A

E

I

S

A

L

D

A

A

V

V

V

I

T

S

R

K

D

K

S

A

S

S

E

E

R

R

I

I

V

G

E

R

Y

A

A

A

F

L

K

R

Y

I

A

A

L

E

D

G

N

R

D

P

R

R

Q

K

K

T

V

L

T

H

V

I

C

A

H

H

K
|
K

A

A

N

N

I

V

L

L

K

P

F

L

T

T

Q

Q

G

G

L

L

F

F

L

L

N

D

T

T

A

V

R

K

E

E

V

V

A

A

K

K

K

D

Y

F

P

P

Q

L

I

V

E

N

F

V

D

Q

E

D

K

I

I

I

I

V

D
|
D

A

N

A

C

C

A

M

M

H

Q

M

L

V

V

M

M

K

R

P

P

E

E

Q

R

F

F

D

D

V

V

V

I

V

V

T

T

N

N

M

L

F

L

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

A

A

A

G

G

L

L

V

V

G

G

L

L

G

G

L

L

I

A

P

P

G

S

A

G

N

N

I

I

G

G

T

D

D

T

A

T

A

A

L

V

F

F

E

E

A

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

T

T

A

A

V

A

M

I

M

L

A

S

G

A

V

A

M

M

L

L

T

D

H

Y

L

L

G

G

E

E

H

K

D

E

A

A

G

A

M

K

R

R

M

V

L

E

H

K

A

A

I

V

E

D

K

L

V

V

V

L

N

E

E

R

G

G

K

P

Y

R

V

-

T

T

P

P

D

D

L

L

N

G

P

G

N

D

S

A

T

T

C

-

G

-

T

T

K

E

E

A

M

F

G

T

Q

E

A

A

I

V

V

V

D

E

A

A

M

L

active site: Y124 (= Y123), K170 (= K172), D203 (= D205), D227 (= D229), D231 (= D233)
binding 3-[(carboxymethyl)sulfanyl]-2-oxopropanoic acid: R97 (= R95), R117 (= R116), Y124 (= Y123), D227 (= D229), D231 (= D233)

2d1cA Crystal structure of tt0538 protein from thermus thermophilus hb8
45% identity, 99% coverage: 4:335/336 of query aligns to 21:354/495 of 2d1cA

query
sites
2d1cA

V

I

T

T

L

V

I

I

K

P

G

G

D

D

G

G

I

I

G

G

P

P

S

E

I

C

M

V

D

E

A

A

A

T

V

L

A

K

V

V

I

L

D

E

A

A

S

A

G

K

A

A

K

P

I

L

N

A

W

Y

Q

E

E

V

A

R

E

E

A

A

G

G

M

A

S

S

A

V

Y

F

E

R

K

R

-

G

T

I

G

A

T

S

P

G

L

V

P

P

D

Q

A

E

T

T

M

I

Q

E

S

S

I

I

D

R

E

K

T

T

R

R

V

V

A

V

F

L

K

K

G

G

P
|
P

L
|
L

T
x
E

T
|
T

M

P

V

V

G

G

E

Y

G

G

F

E

R

K

S

S

I

A

N
|
N

V

V

E

T

L

L

R

R

K

K

K

L

Y

F

D

E

L

T

Y

Y

A

A

N

N

V

V

R

R

P

P

A

V

K

R

S

E

W

F

P

P

G

N

V

V

K

P

T

T

R

P

Y

Y

-

A

-

G

D

R

D

G

V

I

D

D

I

L

V

V

R

R

E

E

N

N

T

V

Q

E

G

D

L

L

Y
|
Y

V

A

G

G

L

I

E

E

H

H

Y

M

L

Q

T

T

P

P

Q

-

K

-

D

S

I

V

A

A

E

Q

S

T

L

L

A

K

V

L

V

I

T

S

R

W

D

K

S

G

S

S

E

E

R

K

I

I

V

V

E

R

Y

F

A

A

F

F

K

E

Y

L

A

A

L

R

D

A

N

E

D

G

R

R

Q

K

K

K

V

V

T

H

V

C

C

A

H

T

K
|
K

A

S

N

N

I

I

L

M

K

K

F

L

T

A

Q

E

G

G

L

T

F

L

L

K

N

R

T

A

A

F

R

E

E

Q

V

V

A

A

K

Q

K

E

Y

Y

P

P

Q

D

I

I

E

E

F

A

D

V

E

H

K

I

I
|
I

I

V

D
|
D

A
x
N

A

A

C

A

M

H

H
x
Q

M

L

V

V

M

K

K

R

P

P

E

E

Q

Q

F

F

D

E

V

V

V

I

V

V

T

T

N

N

M

M

F

N

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

T

A

S

G

G

L

L

V

I

G

G

L
|
L

G
|
G

L

F

I

A

P

P

G

S

A

A

N

N

I

I

G

G

T

N

D

E

A

V

A

A

L

I

F

F

E

E

A

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

T

T

A

A

V

V

M

L

A

S

G

A

V

V

M

M

L

L

T

R

H

Y

L

L

G

E

E

E

H

F

D

A

A

T

G

A

M

D

R

L

M

I

L

E

H

N

A

A

I

L

E

L

K

Y

V

T

V

L

N

E

E

E

G

G

K

R

Y

V

V

L

T

T

P

G

D
|
D

-

V

L

V

N

G

P

Y

N

D

S

R

T

G

C

A

G

K

T

T

K

T

E

E

M

Y

G

T

Q

E

A

A

I

I

V

I

D

Q

A

N

M

L

active site: Y143 (= Y123), K190 (= K172), D223 (= D205), D247 (= D229), D251 (= D233)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P86 (= P68), L87 (= L69), E88 (≠ T70), T89 (= T71), N99 (= N81), I221 (= I203), N224 (≠ A206), Q228 (≠ H210), L260 (= L242), G261 (= G243), H279 (= H261), G280 (= G262), S281 (= S263), A282 (= A264), K284 (≠ D266), Y285 (≠ I267), I291 (≠ A273), N292 (= N274), D333 (= D315)

3blwF Yeast isocitrate dehydrogenase with citrate and amp bound in the regulatory subunits (see paper)
43% identity, 92% coverage: 2:309/336 of query aligns to 19:322/347 of 3blwF

query
sites
3blwF

H

Y

N

T

V

V

T

S

L

F

I

I

K

E

G

G

D

D

G

G

I

I

G

G

P

P

S

E

I

I

M

S

D

K

A

S

A

V

V

K

A

K

V

I

I

F

D

S

A

A

S

A

G

N

A

V

K

P

I

I

N

E

W

W

Q

E

E

S

A

C

E

D

A

V

G

S

M

-

S

P

A

I

Y

F

E

V

K

N

T

G

G

L

T

T

P

T

L

I

P

P

D

D

A

P

T

A

M

V

Q

Q

S

S

I

I

D

T

E

K

T

N

R

L

V

V

A

A

F

L

K

K

G

G

P

P

L

L

T

A

T

T

M

-

V

-

G

-

E

-

G

P

F

H

R

R

S

S

I

L

N

N

V

L

E

T

L

L

R

R

K

K

K

T

Y

F

D

G

L

L

Y

F

A

A

N

N

V

V

R

R

P

P

A

A

K

K

S

S

W

I

P

E

G

G

V

F

K

K

T

T

R

T

Y

Y

D

E

D

N

V

V

D

D

I

L

V

V

V

L

V

I

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y
|
Y

V

S

G

G

L

I

E

E

H

H

Y

I

L

V

T

C

P

P

Q

-

K

-

D

G

I

V

A

V

E

Q

S

S

L

I

A

K

V

L

V

I

T

T

R

R

D

D

S

A

S

S

E

E

R

R

I

V

V

I

E

R

Y

Y

A

A

F

F

K

E

Y

Y

A

A

L

R

D

A

N

I

D

G

R

R

Q

P

K

R

V

V

T

I

V

V

C

V

H

H

K
|
K

A

S

N
x
T

I

I

L

Q

K

R

F

L

T

A

Q

D

G

G

L

L

F

F

L

V

N

N

T

V

A

A

R

K

E

E

V

L

A

S

K

K

K

E

Y

Y

P

P

Q

D

I

L

E

T

F

L

D

E

E

T

K

E

I

L

I

I

D
|
D

A

N

A

S

C

V

M

L

H

K

M

V

V

V

M

T

K

N

P

P

E

S

Q

A

F

Y

D

T

-

D

-

A

V

V

V

S

V

V

T

C

T

P

N

N

M

L

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

L

T

N

A

S

G

G

L

L

-

S

V

A

G

G

G

S

L

L

G

G

L

L

I

T

P

P

G

S

A

A

N

N

I

I

G

G

T

H

D

K

A

I

A

S

L

I

F

F

E

E

A

A

V

V

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

Q

N

D

I

K

A

A

N

N

P

P

T

T

A

A

V

L

M

L

A

S

G

S

V

V

M

M

L

L

T

N

H

H

L

M

G

G

E

L

H

T

D

N

A

H

G

A

M

D

R

Q

M

I

L

Q

H

N

A

A

I

V

E

L

K

S

V

T

V

I

N

A

E

S

G

G

active site: Y135 (= Y123), K182 (= K172), D215 (= D205), D241 (= D229), D245 (= D233)
binding citrate anion: K182 (= K172), T184 (≠ N174)

4y1pB Crystal structure of 3-isopropylmalate dehydrogenase (saci_0600) from sulfolobus acidocaldarius complex with 3-isopropylmalate and mg2+ (see paper)
44% identity, 98% coverage: 4:331/336 of query aligns to 4:331/336 of 4y1pB

query
sites
4y1pB

V

V

T

A

L

L

I

I

K

Q

G

G

D

D

G

G

I

I

G

G

P

P

S

E

I

V

M

V

D

S

A

K

A

S

V

K

A

T

V

I

I

L

D

A

A

R

S

L

G

N

A

E

K

K

-

F

-

S

-

L

-

P

I

I

N

E

W

Y

Q

I

E

E

A

V

E

E

A

A

G

G

M

D

S

T

A

T

Y

K

E

N

K

K

T

F

G

G

T

D

P

A

L

L

P

P

D

K

A

D

T

S

M

L

Q

R

S

V

I

I

D

E

E

K

T

A

R

D

V

M

A

I

F

L

K

K

G

G

P

P

L

-

T

-

M

-

V

V

G

G

E

E

G

T

F

A

R
x
A

S

D

I

V

N

V

V

V

E

K

L

L

R
|
R

K

L

K

M

Y

Y

D

D

L

L

Y

Y

A

A

N

N

V

L

R
|
R

P

P

A

A

K

K

S

S

W

L

P

P

G

G

V

L

K

E

T

N

R

K

Y

F

D

G

D

D

V

V

D

D

I

I

V

L

V

V

R
|
R

E

E

N

N

T

T

Q

E

G

D

L

L

Y
|
Y

V

K

G

G

L

L

E

E

H

H

Y

V

L

I

T

S

P

-

Q

-

K

D

D

G

I

V

A

T

E

V

S

G

L

I

A

K

V

V

V

I

T

T

R

R

D

A

S

A

S

S

E

T

R

R

I

I

V

A

E

Q

Y

V

A

A

F

L

K

N

Y

Q

A

A

L

L

D

R

N

-

D

-

R

R

Q

K

K

K

V

K

T

V

V

V

C

C

-

V

H

H

K
|
K

A

S

N

N

I

V

L

M

K

R

F

I

T

T

Q

D

G

G

L

L

F

F

L

A

N

E

T

S

A

C

R

R

E

N

V

V

A

L

K

K

K

G

Y

-

P

-

Q

K

I

V

E

E

F

Y

D

S

E

E

K

M

I

Y

I

V

D
|
D

A

A

C

A

M

A

H

N

M

L

V

V

M

R

K

N

P

P

E

Q

Q

A

F

F

D

D

V

V

V

I

V

V

T

T

T

E

N

N

M

T

F

Y

G

G

D
|
D

I

I

L

L

S

S

D
|
D

L

E

T

A

A

G

G

Q

L

I

V

A

G

G

G

S

L

L

G

G

L

I

I

S

P

P

G

S

A

A

N

N

I

I

G

G

T

D

D

R

A

K

A

S

L

L

F

F

E

E

A

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

T

T

A

A

V

F

M

L

A

S

G

V

V

G

M

M

L

L

T

D

H

R

L

M

G

Q

E

E

-

L

-

S

-

G

-

D

-

I

-

R

-

Y

H

N

D

N

A

A

G

A

M

K

R

S

M

L

L

R

H

D

A

A

I

I

E

Y

K

S

V

V

V

Y

N

S

E

E

G

G

K

K

Y

Y

V

L

T

T

P

P

D

D

L

V

N

G

P

G

N

S

S

S

T

T

C

-

G

-

T

T

K

D

E

E

M

M

G

I

Q

S

A

A

I

I

active site: Y123 (= Y123), K169 (= K172), D200 (= D205), D224 (= D229), D228 (= D233)
binding 3-isopropylmalic acid: A78 (≠ R78), R85 (= R85), R95 (= R95), R116 (= R116), Y123 (= Y123), D224 (= D229)

5grfB Crystal structure of the alpha gamma mutant (gamma-k151a) of human idh3 in complex with mg(2+), citrate and adp (see paper)
44% identity, 94% coverage: 2:316/336 of query aligns to 2:313/335 of 5grfB

query
sites
5grfB

H

H

N

T

V

V

T

T

L

M

I

I

K

P

G

G

D

D

G

G

I
|
I

G

G

P

P

S

E

I

L

M

M

D

L

A

H

A

V

V

K

A

S

V

V

I

F

D

R

A

H

S

A

G

C

A

V

K

P

I

V

N

D

W

F

Q

E

E

E

A

V

E

H

A

V

G

S

M

S

S

N

A

A

Y

D

E

E

K

E

T

D

G

-

T

-

P

-

L

I

P

R

D

N

A

A

T

I

M

M

Q

-

S

A

I

I

D

R

E

R

T

N

R

R

V

V

A

A

F

L

K

K

G

G

P
x
N

L

I

T

E

T

T

M

N

-

H

-

N

V

L

G

P

E

P

G

S

F

H

R

K

S

S

I

R

N

N

V

N

E

I

L

L

R

R

K

T

K

S

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R

I

P

H

A

C

K

K

S

S

W

L

P

P

G

G

V

V

K

V

T

T

R

R

Y

H

D

K

D

D

V

I

D

D

I

I

V

L

V

I

V

V

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y
|
Y

V

S

G

S

L

L

E

E

H

H

Y

-

L

-

T

E

P

S

Q

V

K

A

D

G

I

V

A

V

E

E

S

S

L

L

A

A

V

I

T

T

R

K

D

A

S

K

S

S

E

L

R

R

I

I

V

A

E

E

Y

Y

A

A

F

F

K

K

Y

L

A

A

L

Q

D

E

N

S

D

G

R

R

Q

K

K

K

V

V

T

T

V

A

C

V

H

H

K
|
K

A

A

N

N

I

I

L

M

K

K

F

L

T

G

Q

D

G

G

L

L

F

F

L

L

N

Q

T

C

A

C

R

R

E

E

V

V

A

A

K

A

K

R

Y

Y

P

P

Q

Q

I

I

E

T

F

F

D

E

E

N

K

M

I

I

I

V

D
|
D

A

N

A

T

C

T

M

M

H

Q

M

L

V

V

M

S

K

R

P

P

E

Q

Q

Q

F

F

D

D

V

V

V

M

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
x
N

I

I

L

V

S

N

D
x
N

L

V

T

C

A

A

G

G

L

L

V

V

G

G

L
x
P

G

G

L

L

I

V

P

A

G

G

A

A

N

N

I

Y

G

G

T

H

D

V

A

Y

A

A

L

V

F

F

E

E

-

T

A

A

V

T

H
x
R

G
x
N

S
x
T

A
x
G

P
x
K

D

S

I
|
I

A

A

G

N

K

K

N

N

I

I

A

A

N
|
N

P

P

T

T

A

A

V

T

M

L

A

A

G

S

V

C

M

M

L

L

T

D

H

H

L

L

G

K

E

L

H

H

D

S

A

Y

G

A

M

T

R

S

M

I

L

R

H

K

A

A

I

V

E

L

K

A

V

S

V

M

N

D

E

N

G

E

K

N

Y

M

V

H

T

T

P

P

D
|
D

L

I

active site: Y121 (= Y123), K168 (= K172), D201 (= D205), N225 (≠ D229), N229 (≠ D233)
binding adenosine-5'-diphosphate: I12 (= I12), P238 (≠ L242), N259 (≠ G262), T260 (≠ S263), G261 (≠ A264), K262 (≠ P265), I264 (= I267), N271 (= N274), D312 (= D315)
binding magnesium ion: N64 (≠ P68), R258 (≠ H261)

6l57B Crystal structure of the alpha gamma heterodimer of human idh3 in complex with cit , mg and atp binding at allosteric site. (see paper)
44% identity, 94% coverage: 2:316/336 of query aligns to 2:313/332 of 6l57B

query
sites
6l57B

H

H

N

T

V

V

T

T

L

M

I

I

K

P

G

G

D

D

G

G

I
|
I

G

G

P

P

S

E

I

L

M

M

D

L

A

H

A

V

V

K

A

S

V

V

I

F

D

R

A

H

S

A

G

C

A

V

K

P

I

V

N

D

W

F

Q

E

E

E

A

V

E

H

A

V

G

S

M

S

S

N

A

A

Y

D

E

E

K

E

T

D

G

-

T

-

P

-

L

I

P

R

D

N

A

A

T

I

M

M

Q

-

S

A

I

I

D

R

E

R

T

N

R

R

V

V

A

A

F

L

K

K

G

G

P
x
N

L

I

T

E

T

T

M

N

-

H

-

N

V

L

G

P

E

P

G

S

F

H

R

K

S

S

I

R

N

N

V

N

E

I

L

L

R

R

K

T

K

S

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R

I

P

H

A

C

K

K

S

S

W

L

P

P

G

G

V

V

K

V

T

T

R

R

Y

H

D

K

D

D

V

I

D

D

I

I

V

L

V

I

V

V

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y
|
Y

V

S

G

S

L

L

E

E

H

H

Y

-

L

-

T

E

P

S

Q

V

K

A

D

G

I

V

A

V

E

E

S

S

L

L

A

K

V

I

T

T

R

K

D

A

S

K

S

S

E

L

R

R

I

I

V

A

E

E

Y

Y

A

A

F

F

K

K

Y

L

A

A

L

Q

D

E

N

S

D

G

R

R

Q

K

K

K

V

V

T

T

V

A

C

V

H

H

K
|
K

A

A

N

N

I

I

L

M

K

K

F

L

T

G

Q

D

G

G

L

L

F

F

L

L

N

Q

T

C

A

C

R

R

E

E

V

V

A

A

K

A

K

R

Y

Y

P

P

Q

Q

I

I

E

T

F

F

D

E

E

N

K

M

I

I

I

V

D
|
D

A

N

A

T

C

T

M

M

H

Q

M

L

V

V

M

S

K

R

P

P

E

Q

Q

Q

F

F

D

D

V

V

V

M

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
x
N

I

I

L

V

S

N

D

N

L

V

T

C

A

A

G

G

L

L

V

V

G

G

L
x
P

G

G

L

L

I

V

P

A

G

G

A

A

N

N

I

Y

G

G

T

H

D

V

A

Y

A

A

L

V

F

F

E

E

-

T

A

A

V

T

H
x
R

G
x
N

S
x
T

A
x
G

P
x
K

D
x
S

I
|
I

A

A

G

N

K

K

N

N

I

I

A

A

N
|
N

P

P

T

T

A

A

V

T

M

L

A

A

G

S

V

C

M

M

L

L

T

D

H

H

L

L

G

K

E

L

H

H

D

S

A

Y

G

A

M

T

R

S

M

I

L

R

H

K

A

A

I

V

E

L

K

A

V

S

V

M

N

D

E

N

G

E

K

N

Y

M

V

H

T

T

P

P

D
|
D

L

I

active site: Y121 (= Y123), K168 (= K172), D201 (= D205), N225 (≠ D229)
binding adenosine-5'-triphosphate: I12 (= I12), P238 (≠ L242), N259 (≠ G262), T260 (≠ S263), G261 (≠ A264), K262 (≠ P265), S263 (≠ D266), I264 (= I267), N271 (= N274), D312 (= D315)
binding magnesium ion: N64 (≠ P68), R258 (≠ H261)

5yvtB Crystal structure of the alpha gamma heterodimer of human idh3 in complex with mg(2+) and nadh (see paper)
44% identity, 94% coverage: 2:316/336 of query aligns to 2:313/333 of 5yvtB

query
sites
5yvtB

H

H

N

T

V

V

T

T

L

M

I

I

K

P

G

G

D

D

G

G

I
|
I

G

G

P

P

S

E

I

L

M

M

D

L

A

H

A

V

V

K

A

S

V

V

I

F

D

R

A

H

S

A

G

C

A

V

K

P

I

V

N

D

W

F

Q

E

E

E

A

V

E

H

A

V

G

S

M

S

S

N

A

A

Y

D

E

E

K

E

T

D

G

-

T

-

P

-

L

I

P

R

D

N

A

A

T

I

M

M

Q

-

S

A

I

I

D

R

E

R

T

N

R

R

V

V

A

A

F

L

K

K

G

G

P

N

L

I

T
x
E

T
|
T

M

N

-

H

-

N

V

L

G

P

E

P

G

S

F

H

R

K

S

S

I

R

N

N

V

N

E

I

L

L

R

R

K

T

K

S

Y

L

D

D

L

L

Y

Y

A

A

N

N

V

V

R

I

P

H

A

C

K

K

S

S

W

L

P

P

G

G

V

V

K

V

T

T

R

R

Y

H

D

K

D

D

V

I

D

D

I

I

V

L

V

I

V

V

R

R

E

E

N

N

T

T

Q

E

G

G

L

E

Y
|
Y

V

S

G

S

L

L

E

E

H

H

Y

-

L

-

T

E

P

S

Q

V

K

A

D

G

I

V

A

V

E

E

S

S

L

L

A

K

V

I

T

T

R

K

D

A

S

K

S

S

E

L

R

R

I

I

V

A

E

E

Y

Y

A

A

F

F

K

K

Y

L

A

A

L

Q

D

E

N

S

D

G

R

R

Q

K

K

K

V

V

T

T

V

A

C

V

H

H

K
|
K

A

A

N

N

I

I

L

M

K

K

F

L

T

G

Q

D

G

G

L

L

F

F

L

L

N

Q

T

C

A

C

R

R

E

E

V

V

A

A

K

A

K

R

Y

Y

P

P

Q

Q

I

I

E

T

F

F

D

E

E

N

K

M

I

I

I

V

D
|
D

A

N

A

T

C

T

M

M

H

Q

M

L

V

V

M

S

K

R

P

P

E

Q

Q

Q

F

F

D

D

V

V

V

M

V

V

T

M

T

P

N

N

M

L

F

Y

G

G

D
x
N

I

I

L

V

S

N

D
x
N

L

V

T

C

A

A

G

G

L

L

V

V

G

G

L
x
P

G
|
G

L

L

I

V

P

A

G

G

A

A

N

N

I

Y

G

G

T

H

D

V

A

Y

A

A

L

V

F

F

E

E

-

T

A

A

V

T

H
x
R

G
x
N

S
x
T

A
x
G

P

K

D
x
S

I
|
I

A

A

G

N

K

K

N

N

I

I

A
|
A

N
|
N

P

P

T

T

A

A

V

T

M

L

A

A

G

S

V

C

M

M

L

L

T

D

H

H

L

L

G

K

E

L

H

H

D

S

A

Y

G

A

M

T

R

S

M

I

L

R

H

K

A

A

I

V

E

L

K

A

V

S

V

M

N

D

E

N

G

E

K

N

Y

M

V

H

T

T

P

P

D
|
D

L

I

active site: Y121 (= Y123), K168 (= K172), D201 (= D205), N225 (≠ D229), N229 (≠ D233)
binding 1,4-dihydronicotinamide adenine dinucleotide: I12 (= I12), E66 (≠ T70), T67 (= T71), P238 (≠ L242), G239 (= G243), R258 (≠ H261), N259 (≠ G262), T260 (≠ S263), G261 (≠ A264), S263 (≠ D266), I264 (= I267), A270 (= A273), N271 (= N274), D312 (= D315)

Query Sequence

>WP_013819177.1 NCBI__GCF_000214665.1:WP_013819177.1
MHNVTLIKGDGIGPSIMDAAVAVIDASGAKINWQEAEAGMSAYEKTGTPLPDATMQSIDE
TRVAFKGPLTTMVGEGFRSINVELRKKYDLYANVRPAKSWPGVKTRYDDVDIVVVRENTQ
GLYVGLEHYLTPQKDIAESLAVVTRDSSERIVEYAFKYALDNDRQKVTVCHKANILKFTQ
GLFLNTAREVAKKYPQIEFDEKIIDAACMHMVMKPEQFDVVVTTNMFGDILSDLTAGLVG
GLGLIPGANIGTDAALFEAVHGSAPDIAGKNIANPTAVMMAGVMMLTHLGEHDAGMRMLH
AIEKVVNEGKYVTPDLNPNSTCGTKEMGQAIVDAMA

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