SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF1677 FitnessBrowser__Marino:GFF1677 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)

2qfxA Crystal structure of saccharomyces cerevesiae mitochondrial NADP(+)- dependent isocitrate dehydrogenase in complex with NADPH, a- ketoglutarate and ca(2+) (see paper)
29% identity, 46% coverage: 4:266/572 of query aligns to 9:262/410 of 2qfxA

query
sites
2qfxA

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binding 2-oxoglutaric acid: T77 (= T72), S94 (= S100), R100 (= R106), R109 (= R115)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A74 (= A69), T75 (≠ G70), N96 (= N102)

Sites not aligning to the query:

2qfvA Crystal structure of saccharomyces cerevesiae mitochondrial NADP(+)- dependent isocitrate dehydrogenase in complex with NADP(+) (see paper)
29% identity, 46% coverage: 4:266/572 of query aligns to 9:262/410 of 2qfvA

query
sites
2qfvA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: A74 (= A69), T75 (≠ G70), I76 (≠ M71), T77 (= T72), N96 (= N102)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 310, 311, 312, 313, 314, 315, 316, 329, 377

2qfyA Crystal structure of saccharomyces cerevesiae mitochondrial NADP(+)- dependent isocitrate dehydrogenase in complex with a-ketoglutarate (see paper)
29% identity, 46% coverage: 4:266/572 of query aligns to 9:262/411 of 2qfyA

query
sites
2qfyA

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binding 2-oxoglutaric acid: S94 (= S100), N96 (= N102), R100 (= R106), R109 (= R115)

4aouA Ctidh bound to NADP. The complex structures of isocitrate dehydrogenase from clostridium thermocellum and desulfotalea psychrophila, support a new active site locking mechanism (see paper)
30% identity, 46% coverage: 1:264/572 of query aligns to 5:256/401 of 4aouA

query
sites
4aouA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: T74 (≠ G70), T76 (= T72), R81 (≠ Q77), N95 (= N102)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 285, 286, 305, 306, 307, 308, 311, 323, 324

4aovA Dpidh-NADP. The complex structures of isocitrate dehydrogenase from clostridium thermocellum and desulfotalea psychrophila, support a new active site locking mechanism (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 5:258/401 of 4aovA

query
sites
4aovA

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Q

I

L

F

S

A

L

E

A

A

T

G

G

G

V

K

V

L

K

E

L

I

M

V

F

V

V

T

G

D

S

K

S

N

G

G

D

K

P

-

V

-

E

E

L

T

H

R

R

Q

R

T

E

I

I

M

R

E

K

V

G

D

D

E

P

P

W

A

L

I

L

V

A

Q

-

G

-

I

T

H

N

N

D

T

I

V

E

A

D

S

V

I

K

G

A

H

W

F

A

A

H

R

R

A

F

C

F

F

Q

E

R

Y

A

S

I

L

A

D

E

Q

K

K

R

I

D

D

V

C

Y

W

L

F

G

A

L

T

K

K

D

D

T

T

V

I

I

S

P

K

G

Q

Y

Y

D

D

G

Q

A

R

M

F

R

K

S

I

V

I

I

F

E

E

D

E

I

I

Y

F

H

A

S

Q

D

E

Y

Y

K

K

K

E

Q

K

I

F

E

A

D

A

L

A

G

G

L

I

N

E

Y

Y

Y

F

Y

Y

E

T

L

L

I

I

D

D

A

D

Q

V

A

V

A

A

R

R

I

M

V

M

S

K

N

T

binding nadp nicotinamide-adenine-dinucleotide phosphate: A73 (= A69), T74 (≠ G70), R81 (≠ Q77), N95 (= N102)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 285, 286, 305, 306, 307, 308, 310, 311, 323, 324

2uxqA Isocitrate dehydrogenase from the psychrophilic bacterium desulfotalea psychrophila: biochemical properties and crystal structure analysis (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 5:258/402 of 2uxqA

query
sites
2uxqA

M

M

T

K

S

T

P

P

L

L

V

V

I

E

L

L

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

V

A

L

F

W

E

P

H

L

I

I

L

K

K

D

K

K

F

L

V

L

N

L

S

P

R

F

L

I

D

D

I

L

Q

Q

L

T

E

E

E

Y

I

Y

D

D

L

L

S

G

A

I

E

E

N

E

R

R

L

D

L

R

T

T

N

N

G

D

Q

Q

V

I

V

T

I

I

D

D

A

A

I

A

D

E

S

A

L

I

Q

K

R

K

H

Y

G

G

V

V

G

G

V

V

K

K

N

N

A

A

G

T

M

I

T

T

V

P

N

N

R

Q

Q

D

Q

R

L

V

E

E

D

E

L

Y

L

G

R

L

K

K

H

E

P

Q

G

W

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

-

T

-

K

K

S

S

P

P

N

N

G

A

A

T

I

V

R

R

K

A

G

M

I

L

S

D

G

G

N

T

I

V

T

F

R

R

E

K

D

P

I

I

Q

M

F

V

R

K

N

N

L

I

N

K

I

P

R

S

R

V

P

R

Q

S

W

W

V

-

G

Q

R

K

D

P

I

I

E

V

V

V

D

G

T

R

M

H

E

A

F

Y

G

G

G

D

I

F

K

Y

D

K

S

N

F

A

N

E

Q

I

L

F

S

A

L

E

A

A

T

G

G

G

V

K

V

L

K

E

L

I

M

V

F

V

V

T

G

D

S

K

S

N

G

G

D

K

P

-

V

-

E

E

L

T

H

R

R

Q

R

T

E

I

I

M

R

E

K

V

G

D

D

E

P

P

W

A

L

I

L

V

A

Q

-

G

-

I

T

H

N

N

D

T

I

V

E

A

D

S

V

I

K

G

A

H

W

F

A

A

H

R

R

A

F

C

F

F

Q

E

R

Y

A

S

I

L

A

D

E

Q

K

K

R

I

D

D

V

C

Y

W

L

F

G

A

L

T

K

K

D

D

T

T

V

I

I

S

P

K

G

Q

Y

Y

D

D

G

Q

A

R

M

F

R

K

S

I

V

I

I

F

E

E

D

E

I

I

Y

F

H

A

S

Q

D

E

Y

Y

K

K

K

E

Q

K

I

F

E

A

D

A

L

A

G

G

L

I

N

E

Y

Y

Y

F

Y

Y

E

T

L

L

I

I

D

D

A

D

Q

V

A

V

A

A

R

R

I

M

V

M

S

K

N

T

Sites not aligning to the query:

binding magnesium ion: 272, 276

4hcxA Structure of icdh-1 from m.Tuberculosis complexed with NADPH & mn2+ (see paper)
32% identity, 46% coverage: 1:264/572 of query aligns to 5:258/402 of 4hcxA

query
sites
4hcxA

M

V

T

S

S

G

P

P

L

V

V

V

I

E

L

L

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

V

A

I

F

W

E

K

H

L

I

I

L

K

K

D

K

M

F

L

V

I

N

L

S

P

R

Y

L

L

D

D

I

I

Q

R

L

L

E

D

E

Y

I

Y

D

D

L

L

S

G

A

I

E

E

N

H

R

R

L

D

L

A

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

A

I

A

D

Y

S

A

L

I

Q

K

R

K

H

H

G

G

V

V

G

G

V

V

K

K

N

C

A
|
A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

-

R

-

K

-

H

-

P

-

G

-

V

-

D

-

G

-

E

-

N

N

L

L

H

K

P

K

L

M

A

W

T

L

K

-

S

S

P

P

N

N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

I

T

F

R

R

E

E

D

P

I

I

Q

V

F

I

R

S

N

N

L

V

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

V

V

I

D

G

T

R

M

H

E

A

F

F

G

G

G

D

I

Q

K

Y

D

R

S

A

F

T

N

N

Q

F

L

K

S

V

L

D

A

Q

T

P

G

G

V

T

V

V

K

T

L

L

M

T

F

F

V

T

G

P

S

A

S

D

G

G

D

S

P

A

V

P

E

I

L

V

H

H

R

E

R

M

E

V

I

S

-

I

-

P

R

E

K

D

G

G

D

G

P

V

W

V

L

L

L

G

A

M

T

Y

N

N

D

F

I

K

E

E

D

S

V

I

K

R

A

D

W

F

A

A

H

R

R

A

F

S

F

F

Q

S

R

Y

A

G

I

L

A

N

E

A

K

K

R

W

D

P

V

V

Y

Y

L

L

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

M

M

F

R

K

S

D

V

E

I

F

E

E

D

R

I

V

Y

Y

H

E

S

E

D

E

Y

F

K

K

K

A

Q

Q

I

F

E

E

D

A

L

A

G

G

L

L

N

T

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

A

I

C

V

L

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A73 (= A69), T74 (≠ G70), T76 (= T72)

Sites not aligning to the query:

P33198 Isocitrate dehydrogenase [NADP], mitochondrial; IDH; ICD-M; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Sus scrofa (Pig) (see 2 papers)
28% identity, 47% coverage: 1:266/572 of query aligns to 15:269/421 of P33198

query
sites
P33198

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

V

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

N

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G

T

M

I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S
|
S

P
|
P

N
|
N

G
|
G

A
x
T

I
|
I

R
|
R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R
|
R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T
x
R

M

H

E

A

F

H

G

G

G

D

I

Q

K
x
Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

V

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

I

M

V

F

F

V

T

-

P

-

K

-

D

G

G

S

S

G

A

D

K

P

Q

V

W

E

E

L

V

H

Y

R

-

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K
|
K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

E

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

Y

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D
|
D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

T86 (= T72) binding
103:109 (vs. 100:106, 86% identical) binding
R118 (= R115) binding
R141 (≠ T139) binding
Y148 (≠ K146) Critical for catalysis; mutation to F: Large decrease in Vmax and insignificant change in KM for isocitrate and NADP.
K220 (= K217) Critical for catalysis; mutation K->Q,Y: Large decrease in Vmax and insignificant change in KM for isocitrate and NADP.
D260 (= D257) binding

Sites not aligning to the query:

283 binding

P48735 Isocitrate dehydrogenase [NADP], mitochondrial; IDH; ICD-M; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Homo sapiens (Human) (see 4 papers)
28% identity, 47% coverage: 1:266/572 of query aligns to 46:300/452 of P48735

query
sites
P48735

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G

T

M

I

T

T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N

N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N
x
P

I

R

R

L

R

V

P
|
P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T
x
R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

P158 (≠ N124) to L: in GLM; somatic mutation
P162 (= P128) to S: in GLM; somatic mutation
R172 (≠ T139) to G: in GLM; somatic mutation; reduces enzymatic activity; dbSNP:rs1057519906; to K: in GLM; somatic mutation; reduces enzymatic activity; dbSNP:rs121913503; to M: in GLM; somatic mutation; reduces enzymatic activity; dbSNP:rs121913503; to S: found in patients with cartilagenous tumors; dbSNP:rs1057519736; to T: found in patients with cartilagenous tumors; to W: found in patients with cartilagenous tumors; dbSNP:rs1057519906

Sites not aligning to the query:

413 modified: N6-acetyllysine; K→A: 44-fold loss in activity.; K→Q: 20-fold decrease in Vmax.; K→R: No appreciable difference in Km for isocitrate and NADP.

5h3eB Crystal structure of mouse isocitrate dehydrogenases 2 k256q mutant complexed with isocitrate (see paper)
29% identity, 46% coverage: 4:266/572 of query aligns to 8:259/410 of 5h3eB

query
sites
5h3eB

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

V

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

N

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G

T

M

I

T

T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N

N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

V

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

L

M

V

F

F

V

T

-

P

-

K

-

D

G

G

S

S

G

A

D

K

P

E

V

W

E

E

L

V

H

Y

R

-

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

S

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

L

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

Q

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

Sites not aligning to the query:

binding magnesium ion: 273, 277

6ajcA Crystal structure of trypanosoma cruzi cytosolic isocitrate dehydrogenase in complex with NADP+, isocitrate and ca2+
29% identity, 45% coverage: 5:261/572 of query aligns to 10:255/413 of 6ajcA

query
sites
6ajcA

L

V

V

V

I

E

L

L

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

V

A

I

F

W

E

K

H

M

I

I

L

K

K

E

F

L

V

I

N

F

S

P

R

F

L

L

D

D

I

V

Q

P

L

I

E

E

E

Y

I

Y

D

D

L

L

S

G

A

M

E

E

N

N

R

R

L

D

L

K

T

T

N

D

G

D

Q

Q

V

V

V

T

I

V

D

D

A

A

I

A

D

H

S

A

L

I

Q

K

R

K

H

H

G

G

V

V

G

G

V

V

K

K

N

C

A

A

G
x
T

M
x
I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

R

D

E

L

F

L

-

R

-

K

-

H

-

P

-

G

-

V

-

D

-

G

-

E

-

N

N

L

L

H

K

P

Q

L

M

A

W

T

-

K

K

S

S

P

P

N
|
N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

M

F

C

R

K

N

N

L

V

N

P

I

R

R

L

R

V

P

T

Q

T

W

W

V

-

G

K

R

H

D

P

I

I

E

V

V

I

D

G

T

R

M

H

E

A

F

F

G

G

G

D

I

Q

K

Y

D

R

S

A

F

T

N

D

Q

L

L

V

S

V

L

N

A

G

T

P

G

G

V

T

V

F

K

E

L

I

M

H

F

F

V

V

G

P

S

E

S

S

G

G

D

G

P

A

V

A

E

Q

L

V

H

Q

R

K

-

V

R

F

E

D

I

F

R

K

K

S

G

G

D

G

P

V

W

L

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

K

A

D

W

F

A

A

H

K

R

S

F

C

F

F

Q

E

R

Y

A

A

I

L

A

S

E

K

K

K

R

W

D

P

V

L

Y

Y

L

L

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

R

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

A

D

E

I

M

Y

Y

H

K

S

A

D

S

Y

Y

K

E

K

A

Q

D

I

Y

E

K

D

K

L

A

G

G

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A
x
D

Q

M

A

V

A

A

binding nadp nicotinamide-adenine-dinucleotide phosphate: T75 (≠ G70), I76 (≠ M71), T77 (= T72), N96 (= N102), D252 (≠ A258)

Sites not aligning to the query:

binding calcium ion: 274, 278
binding nadp nicotinamide-adenine-dinucleotide phosphate: 259, 287, 307, 308, 309, 310, 311, 313, 314, 327

5svoA Structure of idh2 mutant r140q (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 5:259/410 of 5svoA

query
sites
5svoA

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N

N

G

G

A

T

I

I

R

Q

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: T74 (≠ G70), T76 (= T72)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 307, 308, 309, 310, 311, 312, 313, 325, 326

6adiA Crystal structures of idh2 r140q in complex with ag-881 (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 6:260/418 of 6adiA

query
sites
6adiA

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G
x
T

M
x
I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N
|
N

G

G

A

T

I

I

R

Q

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A
x
V

A

A

R

Q

I
x
V

V

L

S

K

N

S

binding 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine: V254 (≠ A260), V257 (≠ I263)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T75 (≠ G70), I76 (≠ M71), T77 (= T72), N96 (= N102)

Sites not aligning to the query:

5i95A Crystal structure of human mitochondrial isocitrate dehydrogenase r140q mutant homodimer bound to NADPH and alpha-ketoglutaric acid (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 6:260/413 of 5i95A

query
sites
5i95A

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G
x
T

M
x
I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S
|
S

P

P

N
|
N

G

G

A

T

I

I

R

Q

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R
|
R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

binding 2-oxoglutaric acid: T77 (= T72), S94 (= S100), N96 (= N102), R109 (= R115)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T75 (≠ G70), I76 (≠ M71), T77 (= T72), N96 (= N102)

Sites not aligning to the query:

4ja8A Complex of mitochondrial isocitrate dehydrogenase r140q mutant with agi-6780 inhibitor (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 6:260/416 of 4ja8A

query
sites
4ja8A

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N
|
N

G

G

A

T

I

I

R

Q

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W
|
W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I
x
V

V

L

S

K

N

S

binding 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea: W124 (= W130), V257 (≠ I263)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T75 (≠ G70), T77 (= T72), N96 (= N102)

Sites not aligning to the query:

5i96A Crystal structure of human mitochondrial isocitrate dehydrogenase (idh2) r140q mutant homodimer in complex with ag-221 (enasidenib) inhibitor. (see paper)
28% identity, 47% coverage: 1:266/572 of query aligns to 6:260/417 of 5i96A

query
sites
5i96A

M

V

T

A

S

K

P

P

L

V

V

V

I

E

L

M

H

D

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

Q

H

F

I

I

L

K

K

E

K

K

F

L

V

I

N

L

S

P

R

H

L

V

D

D

I

I

Q

Q

L

L

E

K

E

Y

I

F

D

D

L

L

S

G

A

L

E

P

N

N

R

R

L

D

L

Q

T

T

N

D

G

D

Q

Q

V

V

V

T

I

I

D

D

A

S

I

A

D

L

S

A

L

T

Q

Q

R

K

H

Y

G

S

V

V

G

A

V

V

K

K

N

C

A

A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

K

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N

N

G

G

A

T

I

I

R

Q

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

P

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

P

Q

G

W

W

V

T

G

-

R

K

D

P

I

I

E

T

V

I

D

G

T

R

M

H

E

A

F

H

G

G

G

D

I

Q

K

Y

D

K

S

A

F

T

N

D

Q

F

L

V

S

A

L

D

A

R

T

A

G

G

V

T

V

F

K

K

L

M

M

V

F

F

V

T

G

P

S

K

S

D

G

G

D

S

P

G

V

V

-

K

E

E

L

W

H

E

R

V

R

Y

E

N

I

F

R

P

K

A

G

G

D

G

P

V

W

G

L

M

L

G

A

M

T

Y

N

N

D

T

I

D

E

E

D

S

V

I

K

S

A

G

W

F

A

A

H

H

R

S

F

C

F

F

Q

Q

R

Y

A

A

I

I

A

Q

E

K

K

K

R

W

D

P

V

L

Y

Y

L

M

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

A

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

F

H

D

S

K

D

H

Y

Y

K

K

K

T

Q

D

I

F

E

D

D

K

L

N

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

I

V

V

L

S

K

N

S

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T75 (≠ G70), T77 (= T72)

Sites not aligning to the query:

5l57A Crystal structure of iso-citrate dehydrogenase r132h in complex with a novel inhibitor (compound 13a) (see paper)
29% identity, 45% coverage: 5:262/572 of query aligns to 8:252/409 of 5l57A

query
sites
5l57A

L

V

V

V

I

E

L

M

H

Q

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

E

H

L

I

I

L

K

K

E

K

K

F

L

V

I

N

F

S

P

R

Y

L

V

D

E

I

L

Q

D

L

L

E

H

E

S

I

Y

D

D

L

L

S

G

A

I

E

E

N

N

R

R

L

D

L

A

T

T

N

N

G

D

Q

Q

V

V

V

T

I

K

D

D

A

A

I

A

D

E

S

A

L

I

Q

K

R

K

H

H

G

N

V

V

G

G

V

V

K

K

N

C

A

A

G
x
T

M

I

T

T

V

P

N

D

R

A

Q

A

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

Q

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N

N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D
x
A

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I
x
R

R

L

R

V

P

S

Q

G

W

W

V

V

G

-

R

K

D

P

I

I

E

I

V
x
I

D

G

T

H

M

H

E

A

F

Y

G

G

G

D

I

Q

K

Y

D

R

S

A

F

T

N

D

Q

F

L

V

S

V

L

P

A

G

T

P

G

G

V

K

V

V

K

E

L

I

M

T

F

Y

V

T

G

P

S

S

S

D

G

G

D

T

P

T

V

Y

E

L

L

V

H

H

R

N

R

F

E

E

I

-

R

E

K

G

G

G

D

G

P

V

W

A

L

M

L

G

A

M

T

Y

N

N

D

Q

I

D

E

K

D

S

V

I

K

E

A

D

W

F

A

A

H

H

R

S

F

S

F

F

Q

Q

R

M

A

A

I

L

A

S

E

K

K

G

R

W

D

P

V

L

Y

Y

L

L

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

K

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

Y

H

D

S

K

D

Q

Y

Y

K

K

K

S

Q

Q

I

F

E

A

D

A

L

A

G

A

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

Sites not aligning to the query:

5lgeA Crystal structure of human idh1 mutant (r132h) in complex with NADP+ and an inhibitor related to bay 1436032 (see paper)
29% identity, 45% coverage: 5:262/572 of query aligns to 8:247/406 of 5lgeA

query
sites
5lgeA

L

V

V

V

I

E

L

M

H

Q

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

E

H

L

I

I

L

K

K

E

K

K

F

L

V

I

N

F

S

P

R

Y

L

V

D

E

I

L

Q

D

L

L

E

H

E

S

I

Y

D

D

L

L

S

G

A

I

E

E

N

N

R

R

L

D

L

A

T

T

N

N

G

D

Q

Q

V

V

V

T

I

K

D

D

A

A

I

A

D

E

S

A

L

I

Q

K

R

K

H

H

G

N

V

V

G

G

V

V

K

K

N

C

A
|
A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

K

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

Q

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N
|
N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

A

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

V

P

S

Q

G

W

W

V

V

G

-

R

K

D

P

I

I

E

I

V

I

D

G

T

H

M

H

E

A

F

Y

G

G

G

D

I

Q

K

Y

D

R

S

A

F

T

N

D

Q

F

L

V

S

V

L

P

A

G

T

P

G

G

V

K

V

V

K

E

L

I

M

T

F

Y

V

T

G

-

S

-

G

-

D

-

P

P

V

T

E

Y

L

L

H

H

R

N

R

F

E

E

I

-

R

E

K

G

G

G

D

G

P

V

W

A

L

M

L

G

A

M

T

Y

N

N

D

Q

I

D

E

K

D

S

V

I

K

E

A

D

W

F

A

A

H

H

R

S

F

S

F

F

Q

Q

R

M

A

A

I

L

A

S

E

K

K

G

R

W

D

P

V

L

Y

Y

L

L

G

S

L

T

K

K

D

N

T

T

V

I

I

L

P

K

G

K

Y

Y

D

D

G

G

A

R

M

F

R

K

S

D

V

I

I

F

E

Q

D

E

I

I

Y

Y

H

D

S

K

D

Q

Y

Y

K

K

K

S

Q

Q

I

F

E

E

D

A

L

Q

G

K

L

I

N

W

Y

Y

Y

E

Y

H

E

R

L

L

I

I

D

D

A

D

Q

M

A

V

A

A

R

Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: A72 (= A69), T73 (≠ G70), T75 (= T72), N94 (= N102)

Sites not aligning to the query:

8bayA Crystal structure of idh1 variant r132c s280f in complex with NADPH, ca2+ and 3-butyl-2-oxoglutarate (see paper)
29% identity, 45% coverage: 5:262/572 of query aligns to 8:255/414 of 8bayA

query
sites
8bayA

L

V

V

V

I

E

L

M

H

Q

G

G

D

D

E

E

M

M

A

T

Q

R

V

I

A

I

F

W

E

E

H

L

I

I

L

K

K

E

K

K

F

L

V

I

N

F

S

P

R

Y

L

V

D

E

I

L

Q

D

L

L

E

H

E

S

I

Y

D

D

L

L

S

G

A

I

E

E

N

N

R

R

L

D

L

A

T

T

N

N

G

D

Q

Q

V

V

V

T

I

K

D

D

A

A

I

A

D

E

S

A

L

I

Q

K

R

K

H

H

G

N

V

V

G

G

V

V

K

K

N

C

A

A

G
x
T

M
x
I

T
|
T

V

P

N

D

R

E

Q

K

Q
x
R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

Q

P

-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S
|
S

P

P

N
|
N

G
|
G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R
|
R

E

E

D

A

I

I

Q

I

F

C

R

K

N

N

L

I

N

P

I

R

R

L

R

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G

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W

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V

G

-

R

K

D

P

I

I

E

I

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I

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C

M

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E

A

F

Y

G

G

G

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x
Y

D

R

S

A

F

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N

D

Q

F

L

V

S

V

L

P

A

G

T

P

G

G

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V

V

K

E

L

I

M

T

F

Y

V

T

G

P

S

S

S

D

G

G

D

T

-

Q

-

K

-

V

P

T

V

Y

E

L

L

V

H

H

R

N

R

F

E

E

I

-

R

E

K

G

G

G

D

G

P

V

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A

L

M

L

G

A

M

T

Y

N

N

D

Q

I

D

E

K

D

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I

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E

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F

A

A

H

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S

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M

A

A

I

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A

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E

K

K

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R

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V

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Y

Y

L

L

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L

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D

N

T

T

V

I

I

L

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K

Y

Y

D

D

G

G

A

R

M

F

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S

D

V

I

I

F

E

Q

D

E

I

I

Y

Y

H

D

S

K

D

Q

Y

Y

K

K

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Q

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A

L

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K

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E

Y

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Q

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: T73 (≠ G70), I74 (≠ M71), T75 (= T72), R80 (≠ Q77)
binding (S)-3-butyl-2-oxopentanedioic acid: T75 (= T72), S92 (= S100), N94 (= N102), R107 (= R115), Y137 (≠ K146)
binding (R)-3-butyl-2-oxopentanedioic acid: T75 (= T72), S92 (= S100), N94 (= N102), G95 (= G103), R107 (= R115), Y137 (≠ K146)

Sites not aligning to the query:

1t0lA Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP, isocitrate, and calcium(2+) (see paper)
29% identity, 45% coverage: 5:262/572 of query aligns to 10:257/414 of 1t0lA

query
sites
1t0lA

L

V

V

V

I

E

L

M

H

Q

G

G

D

D

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E

M

M

A

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A

I

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E

H

L

I

I

L

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K

E

K

K

F

L

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I

N

F

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Y

L

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I

L

Q

D

L

L

E

H

E

S

I

Y

D

D

L

L

S

G

A

I

E

E

N

N

R

R

L

D

L

A

T

T

N

N

G

D

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Q

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V

V

T

I

K

D

D

A

A

I

A

D

E

S

A

L

I

Q

K

R

K

H

H

G

N

V

V

G

G

V

V

K

K

N

C

A
|
A

G
x
T

M

I

T
|
T

V

P

N

D

R

E

Q

K

Q

R

L

V

E

E

D

E

L

F

L

K

R

L

K

K

H

Q

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-

G

-

V

-

D

-

G

-

E

-

N

-

L

-

H

-

P

-

L

-

A

M

T

W

K

K

S

S

P

P

N
|
N

G

G

A

T

I

I

R

R

K

N

G

I

I

L

S

G

G

G

N

T

I

V

T

F

R

R

E

E

D

A

I

I

Q

I

F

C

R

K

N

N

L

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I

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-

R

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G

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G

A

M

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N

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D

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I

K

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A

D

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A

A

H

H

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F

S

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F

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Q

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M

A

A

I

L

A

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E

K

K

G

R

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V

L

Y

Y

L

L

G

S

L

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N

T

T

V

I

I

L

P

K

G

K

Y

Y

D

D

G

G

A

R

M

F

R

K

S

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V

I

I

F

E

Q

D

E

I

I

Y

Y

H

D

S

K

D

Q

Y

Y

K

K

K

S

Q

Q

I

F

E

E

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A

L

Q

G

K

L

I

N

W

Y

Y

Y

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Y

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L

L

I

I

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A
x
D

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A

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A

A

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Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: A74 (= A69), T75 (≠ G70), T77 (= T72), N96 (= N102), D253 (≠ A258)

Sites not aligning to the query:

binding calcium ion: 275, 279
binding nadp nicotinamide-adenine-dinucleotide phosphate: 260, 288, 309, 310, 311, 312, 313, 314, 315, 327, 328

Query Sequence

>GFF1677 FitnessBrowser__Marino:GFF1677
MTSPLVILHGDEMAQVAFEHILKKFVNSRLDIQLEEIDLSAENRLLTNGQVVIDAIDSLQ
RHGVGVKNAGMTVNRQQLEDLLRKHPGVDGENLHPLATKSPNGAIRKGISGNITREDIQF
RNLNIRRPQWVGRDIEVDTMEFGGIKDSFNQLSLATGVVKLMFVGSSGDPVELHRREIRK
GDPWLLATNDIEDVKAWAHRFFQRAIAEKRDVYLGLKDTVIPGYDGAMRSVIEDIYHSDY
KKQIEDLGLNYYYELIDAQAARIVSNPPERALWGVPDNTTGRKLLKLVNQLKEFGIPGRG
AHVSISRMSAGGGDQYGSFNMAAKEDGILKVIVDGDEKHARRVRKGDPMLLMSNDREAIK
DWVLQVFRDASRKDKEVYFGLKREYMEYDEVYSEVITEVRRELASEHTPPPSFMIMRPSS
QLKKMITDPPRNALYPSQNLDGDIFSDISAALGGSLATASSIIESKDGTMLFEAPHGTAH
DLYLKYLESDGKVAHFNPSALIFALGNALETLGEREGNEPLSQYAVQLKAALTDTVDRGI
VTADLKGKTVDPDSEQVVDMIGFLEAVEKALQ

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