SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011023501.1 NCBI__GCF_000007345.1:WP_011023501.1 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)

O58965 Phosphoglycerate kinase; EC 2.7.2.3 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
42% identity, 97% coverage: 11:415/416 of query aligns to 2:410/410 of O58965

query
sites
O58965

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R34 (= R44) binding substrate

P40924 Phosphoglycerate kinase; EC 2.7.2.3 from Bacillus subtilis (strain 168) (see paper)
39% identity, 95% coverage: 9:403/416 of query aligns to 2:391/394 of P40924

query
sites
P40924

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S183 (≠ K194) modified: Phosphoserine
T299 (= T313) modified: Phosphothreonine

P36204 Bifunctional PGK/TIM; EC 2.7.2.3; EC 5.3.1.1 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
38% identity, 94% coverage: 11:403/416 of query aligns to 4:394/654 of P36204

query
sites
P36204

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R36 (= R44) binding substrate
R118 (= R122) binding substrate
R151 (= R162) binding substrate

1vpeA Crystallographic analysis of phosphoglycerate kinase from the hyperthermophilic bacterium thermotoga maritima (see paper)
37% identity, 95% coverage: 11:404/416 of query aligns to 3:394/398 of 1vpeA

query
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1vpeA

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L

R

L

L

S

S

R

E

Y

L

L

L

G

G

K

K

Q

E

V

V

T

K

Y

F

V

V

D

P

D

A

I

V

F

V

G

G

T

D

F

E

A

V

K

K

T

K

H

A

I

V

A

E

S

E

M

L

E

K

D

E

G

G

D

E

V

V

I

L

M

L

L

L

E

E

N

N

V

T

R

R

F

F

Y

H

S

-

E

-

S

-

L

-

E

-

R

-

T

-

P

P

A

G

E

E

Q

T

A

K

N

N

-

D

T

P

Y

E

M

L

V

A

K

K

K

F

L

W

A

A

P

S

F

L

V

A

D

D

I

I

F

H

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

A

S

S

V

N

V

V

G

G

F

I

T

A

E

Q

V

F

L

I

P

P

S

S

G

V

A

A

G

G

R

F

V

L

M

M

E

E

K

K

E

E

L

I

V

K

S

F

L

L

D

S

R

K

G

V

V

T

K

Y

G

N

G

P

E

E

R

K

P

P

S

Y

I

V

F

V

V

V

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

S

D

D

S
x
K

L

I

R

G

V

V

T

I

E

T

N

N

V

L

L

M

T

E

S

K

G

-

A

A

D

D

R

R

V

I

L

L

L

I

T

G

G
|
G

V
x
A

V

M

A

M

N

F

V

T

A

F

L

L

A

K

A

A

S

L

G

G

V

K

N

E

I

V

G

G

K

S

V

S

N

R

M

V

D

E

F

-

I

-

K

-

S

-

Q

-

G

-

Y

-

E

E

N

D

Q

K

I

I

E

D

K

L

A

A

R

K

G

E

L

L

L

V

A

E

K

K

F

A

K

K

D

E

R

K

-

G

-

V

-

E

I

I

G

V

L

L

P

P

K

V

D

D

V

A

A

V

L

I

N

A

D

Q

N

K

R

I

E

E

R

P

-

G

V

V

E

E

V

K

H

K

I

V

S

V

E

R

L

I

N

D

S

-

D

D

S

G

L

I

P

P

I

E

N

G

-

W

-

M

-

G

-

L

D

D

I

I

G

G

L

P

E

E

T

T

I

I

V

E

D

L

Y

F

T

K

N

Q

E

K

I

L

Q

S

N

D

S

A

K

K

T

T

V

V

L

W

N
|
N

G

G

P
|
P

A

M

G
|
G

V
|
V

S

F

E
|
E

I

I

E

D

D

D

F

F

A

A

L

E

G

G

T

T

H

K

E

Q

I

V

I

A

K

L

A

A

A

I

I

A

-

A

-

L

-

T

-

E

K

K

S

G

D

A

F

I

S

T

I

V

G

G

G
|
G

H
x
D

I
x
S

S

A

V

A

E

A

V

V

A

N

H

K

L

F

G

G

L

L

E

E

H

D

R

K

F

F

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

F

L

L

A

E

G

G

E

K

K

E

L

L

P

P

G

G

V

I

E

A

S

S

L

M

K

R

active site: R35 (= R44), K196 (= K208), G353 (= G363), G376 (= G386)
binding phosphoaminophosphonic acid-adenylate ester: G194 (= G206), A195 (= A207), K196 (= K208), K200 (≠ S212), G218 (= G232), A219 (≠ V233), N316 (= N330), P318 (= P332), G320 (= G334), V321 (= V335), E323 (= E337), G352 (= G362), G353 (= G363), D354 (≠ H364), S355 (≠ I365)

1phpA Structure of the adp complex of the 3-phosphoglycerate kinase from bacillus stearothermophilus at 1.65 angstroms (see paper)
36% identity, 95% coverage: 9:404/416 of query aligns to 2:392/394 of 1phpA

query
sites
1phpA

N

N

F

K

L

K

T

T

I

I

D

R

D

D

F

V

D

D

I

V

R

R

G

G

K

K

T

R

I

V

L

F

L

C

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

E

T

-

Q

Q

G

G

H

A

I

I

L

T

D

D

M

T

R
|
R

I

I

K

R

S

A

H

A

I

L

A

P

T

T

L

I

K

R

D

Y

L

L

-

I

-

E

E

H

S

G

A

A

K

K

V

V

V

I

L

L

L

A

A

S

H

H

Q

L

S

G

R

R

P

P

G

K

K

G

K

K

D

V

F

V

T

E

M

L

K

R

-

L

-

D

P

A

H

V

A

A

H

K

L

R

L

L

S

G

R

E

Y

L

L

L

G

E

K

R

Q

P

V

V

T

A

Y

K

V

T

D

N

D

E

I

A

F

V

G

G

T

D

F

E

A

V

K

K

T

A

H

A

I

V

A

D

S

R

M

L

E

N

D

E

G

G

D

D

V

V

I

L

M

L

L

L

E

E

N

N

V

V

R

R

F

F

Y

Y

S

P

E

G

E

E

S

-

L

-

E

-

R

-

T

-

P

-

A

-

E

E

Q

K

A

N

N

D

T

P

Y

E

M

L

V

A

K

K

K

A

L

F

A

A

P

E

F

L

V

A

D

D

I

L

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

A

A

A

H

H

R

R

S

A

H

H

L

A

S

S

V

T

V

E

G

G

F

I

T

A

E

H

V

Y

L

L

P

P

S

A

G

V

A

A

G

G

R

F

V

L

M

M

E

E

K

K

E

E

L

L

V

E

S

V

L

L

D

G

R

K

G

A

V

L

K

S

G

N

G

P

E

D

R

R

P

P

S

F

I

T

F

A

V

I

L

I

G

G

G
|
G

A

A

K
|
K

V

V

D

K

D

D

S
x
K

L

I

R

G

V

V

T

I

E

D

N

N

V

L

L

L

T

E

S

K

G

-

A

V

D

D

R

N

V

L

L

I

T

G

G
|
G

V
x
G

V

L

A

A

N

Y

V

T

A

F

L

V

A

K

A

A

S

L

G

G

V

H

N

D

I

V

G

G

K

K

V

S

N
x
L

M

L

D

E

F

-

I

-

K

-

S

-

Q

-

G

-

Y

-

E

E

N

D

Q

K

I

I

E

E

K

L

A

A

R

K

G

S

L

F

L

M

A

E

K

K

F

A

K

K

D

E

-

K

-

G

-

V

R

R

I

F

G

Y

L

M

P

P

K

V

D

D

V

V

A

V

L

V

N

A

D

D

N

-

R

R

E

F

R

A

V

N

E

D

V

A

H

N

I

T

S

K

E

V

L

V

N

P

S

I

D

D

S

A

L

I

P

P

I

A

N

D

-

W

-

S

-

A

-

L

D

D

I

I

G

G

L

P

E

K

T

T

I

R

V

E

D

L

Y

Y

T

R

N

D

E

V

I

I

Q

R

N

E

S

S

K

K

T

L

V

V

L

W

N
|
N

G

G

P
|
P

A

M

G
|
G

V
|
V

S

F

E
|
E

I

M

E

D

D

A

F

F

A

A

L

H

G

G

T

T

H

K

-

A

-

I

E

A

I

E

I

A

K

L

A

A

A

E

I

A

K

L

S

D

D

T

F

Y

S

S

I

V

I

I

G

G

G
|
G

H
x
D

I
x
S

S

A

V

A

E

A

V

V

A

E

H

K

L

F

G

G

L

L

E

A

H

D

R

K

F

M

S

D

H

H

I

I

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

F

L

M

A

E

G

G

E

K

K

Q

L

L

P

P

G

G

V

V

E

V

S

A

L

L

K

E

active site: R36 (= R44), K197 (= K208), G351 (= G363), G374 (= G386)
binding adenosine-5'-diphosphate: G195 (= G206), K201 (≠ S212), G219 (= G232), G220 (≠ V233), L237 (≠ N250), N316 (= N330), P318 (= P332), G320 (= G334), V321 (= V335), E323 (= E337), G350 (= G362), D352 (≠ H364), S353 (≠ I365)

P18912 Phosphoglycerate kinase; EC 2.7.2.3 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
36% identity, 95% coverage: 9:404/416 of query aligns to 2:392/394 of P18912

query
sites
P18912

N

N

F

K

L

K

T

T

I

I

D

R

D

D

F

V

D

D

I

V

R

R

G

G

K

K

T

R

I

V

L

F

L

C

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

E

T

-

Q

Q

G

G

H

A

I

I

L

T

D

D

M

T

R

R

I

I

K

R

S

A

H

A

I

L

A

P

T

T

L

I

K

R

D

Y

L

L

-

I

-

E

E

H

S

G

A

A

K

K

V

V

V

I

L

L

L

A

A

S

H

H

Q

L

S

G

R

R

P

P

G

K

K

G

K

K

D

V

F

V

T

E

M

L

K

R

-

L

-

D

P

A

H

V

A

A

H

K

L

R

L

L

S

G

R

E

Y

L

L

L

G

E

K

R

Q

P

V

V

T

A

Y

K

V

T

D

N

D

E

I

A

F

V

G

G

T

D

F

E

A

V

K

K

T

A

H

A

I

V

A

D

S

R

M

L

E

N

D

E

G

G

D

D

V

V

I

L

M

L

L

L

E

E

N

N

V

V

R

R

F

F

Y

Y

S

P

E

G

E

E

S

-

L

-

E

-

R

-

T

-

P

-

A

-

E

E

Q

K

A

N

N

D

T

P

Y

E

M

L

V

A

K

K

K

A

L

F

A

A

P

E

F

L

V

A

D

D

I

L

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

A

A

A

H

H

R

R

S

A

H

H

L

A

S

S

V

T

V

E

G

G

F

I

T

A

E

H

V

Y

L

L

P

P

S

A

G

V

A

A

G

G

R

F

V

L

M

M

E

E

K

K

E

E

L

L

V

E

S

V

L

L

D

G

R

K

G

A

V

L

K

S

G

N

G

P

E

D

R

R

P

P

S

F

I

T

F

A

V

I

L

I

G

G

A

A

K

K

V

V

D

K

D

D

S
x
K

L

I

R

G

V

V

T

I

E

D

N

N

V

L

L

L

T

E

S

K

G

-

A

V

D

D

R

N

V

L

L

I

T

G

G

G

V

G

V

L

A

A

N

Y

V

T

A

F

L

V

A

K

A

A

S

L

G

G

V

H

N

D

I

V

G

G

K

K

V

S

N

L

M

L

D

E

F

-

I

-

K

-

S

-

Q

-

G

-

Y

-

E

E

N

D

Q

K

I

I

E

E

K

L

A

A

R

K

G

S

L

F

L

M

A

E

K

K

F

A

K

K

D

E

-

K

-

G

-

V

R

R

I

F

G

Y

L

M

P

P

K

V

D

D

V

V

A

V

L

V

N

A

D

D

N

-

R

R

E

F

R

A

V

N

E

D

V

A

H

N

I

T

S

K

E

V

L

V

N

P

S

I

D

D

S

A

L

I

P

P

I

A

N

D

-

W

-

S

-

A

-

L

D

D

I

I

G

G

L

P

E

K

T

T

I

R

V

E

D

L

Y

Y

T

R

N

D

E

V

I

I

Q

R

N

E

S

S

K

K

T

L

V

V

L

W

N
|
N

G

G

P

P

A

M

G

G

V

V

S

F

E
|
E

I

M

E

D

D

A

F

F

A

A

L

H

G

G

T

T

H

K

-

A

-

I

E

A

I

E

I

A

K

L

A

A

A

E

I

A

K

L

S

D

D

T

F

Y

S

S

I

V

I

I

G

G

G
|
G

H
x
D

I
x
S

S

A

V

A

E

A

V

V

A

E

H

K

L

F

G

G

L

L

E

A

H

D

R

K

F

M

S

D

H

H

I

I

S

S

T

T

G

G

A

A

C

S

I

L

D

E

Y

F

L

M

A

E

G

G

E

K

K

Q

L

L

P

P

G

G

V

V

E

V

S

A

L

L

K

E

K201 (≠ S212) binding ATP
N316 (= N330) binding ATP
E323 (= E337) binding ATP
GGDS 350:353 (≠ GGHI 362:365) binding ATP

P07378 Phosphoglycerate kinase, glycosomal; Phosphoglycerate kinase C; EC 2.7.2.3 from Trypanosoma brucei brucei (see 2 papers)
35% identity, 98% coverage: 5:413/416 of query aligns to 1:428/440 of P07378

query
sites
P07378

M

M

T

T

S

L

R

N

N

E

F

K

L

K

T

S

I

I

D

N

D

E

F

C

D

D

I

L

R

K

G

G

K

K

T

K

I

V

L

L

L

I

R

R

V

V

D
|
D

M
x
F

N
|
N

S

V

P

P

M

V

D

K

T

-

Q

N

G

G

H

K

I

I

L

T

D

N

D

D

M

Y

R
|
R

I

I

K

R

S

S

H

A

I

L

A

P

T

T

L

L

K

K

D

K

L

V

-

L

-

T

E

E

S

G

A

G

K

S

V

C

V

V

L

L

L

M

A

S

H
|
H

Q
x
L

S
x
G

R
|
R

P

P

-

K

-

G

-

I

-

P

-

M

-

A

-

Q

-

A

-

G

-

K

-

I

-

R

-

S

-

T

-

G

-

V

-

P

G

G

K

F

K

Q

D

Q

F

K

T

A

T

T

M

L

K

K

P

P

H

V

A

A

H

K

L

A

L

L

S

S

R

E

Y

L

L

L

G

L

K

R

Q

P

V

V

T

T

Y

F

V

A

D

P

D

D

I

C

F

L

G

N

T

-

F

-

A

A

K

A

T

D

H

V

I

V

A

S

S

K

M

M

E

S

D

P

G

G

D

D

V

V

I

V

M

L

L

L

E

E

N

N

V

V

R
|
R

F

F

Y

Y

S

K

E

E

S

G

L

S

E

K

R

K

T

A

P

K

A

D

E

R

Q

E

A

A

N

-

T

-

Y

-

M

M

V

A

K

K

K

I

L

L

A

A

P

S

F

Y

V

G

D

D

I

V

F

Y

L

I

N

S

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R
|
R

S

D

H

S

L

A

S

T

V

M

V

T

G

G

F

I

T

P

E

K

V

I

L

L

P

G

S

N

G

G

A

A

-

A

G

G

R

Y

V

L

M

M

E

E

K

K

E

E

L

I

V

S

S

Y

L

F

D

A

R

K

G

V

V

L

K

G

G

N

G

P

E

P

R

R

P

P

S

L

I

V

F

A

V

I

L

V

G

G

A

A

K

K

V

V

D

S

D

D

S
x
K

L

I

R

Q

V

L

T

L

E

D

N

N

V

M

L

L

T

Q

S

R

G

-

A

I

D

D

R

Y

V

L

L

L

L

I

T

G

G

G

V

A

V

M

A

A

N

Y

V

T

A

F

L

L

A

K

A

A

S

Q

G

G

V

Y

N

S

I

I

G

G

K

K

V

-

N

-

M

-

D

-

F

-

I

-

K

-

S

S

Q

K

G

C

Y

E

E

E

N

S

Q

K

I

L

E

E

K

F

A

A

R

R

G

S

L

L

A

K

K

K

F

A

K

E

D

D

R

R

-

K

-

V

-

Q

I

V

G

I

L

L

P

P

K

I

D

D

V

H

A

V

L

C

N

H

D

T

N

E

R

F

E

K

R

A

V

V

E

D

V

S

H

P

-

L

I

I

S

T

E

E

L

-

N

-

S

D

D

Q

S

N

L

I

P

P

I

E

N

G

-

H

-

M

-

A

-

L

D

D

I

I

G

G

L

P

E

K

T

T

I

I

V

E

D

K

Y

Y

T

V

N

Q

E

T

I

I

Q

G

N

K

S

C

K

K

T

S

V

A

V

I

L

W

N
|
N

G

G

P

P

A

M

G

G

V

V

S

F

E
|
E

I

M

E

V

D

P

F

Y

A

S

L

K

G

G

T

T

H

F

E

A

I

I

I

A

K

K

A

A

A

M

I

G

K

R

S

G

D

T

-

H

-

E

-

H

-

G

-

L

F

M

S

S

I

I

G

G

G
|
G

H
x
D

I
x
S

S

A

V

S

E

A

V

A

A

E

H

L

L

S

G

G

L

E

E

A

H

K

R

R

F

M

S

S

H

H

I

V

S

S

T

T

G

G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

T

L

L

P

P

G

G

V

V

E

T

S

V

L

L

-

D

-

E

K

K

A

S

A

A

Y

V

I

V

K

S

Y

Y

Q

A

E

S

A

A

DFN 24:26 (≠ DMN 28:30) binding substrate
R39 (= R44) binding substrate
HLGR 62:65 (≠ HQSR 65:68) binding substrate
R135 (= R122) binding substrate
R172 (= R162) binding substrate
K223 (≠ S212) binding ATP
N338 (= N330) binding ATP
E345 (= E337) binding ATP
GGDS 375:378 (≠ GGHI 362:365) binding ATP

16pkA Phosphoglycerate kinase from trypanosoma brucei bisubstrate analog (see paper)
35% identity, 94% coverage: 12:403/416 of query aligns to 4:412/415 of 16pkA

query
sites
16pkA

T

S

I

I

D

N

D

E

F

C

D

D

I

L

R

K

G

G

K

K

T

K

I

V

L

L

L

I

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

V

D

K

T

-

Q

N

G

G

H

K

I

I

L

T

D

N

D

D

M

Y

R
|
R

I

I

K

R

S

S

H

A

I

L

A

P

T

T

L

L

K

K

D

K

L

V

-

L

-

T

E

E

S

G

A

G

K

S

V

C

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

K

-

G

-

I

-

P

-

M

-

A

-

Q

-

A

-

G

-

K

-

I

-

R

-

S

-

T

-

G

-

V

-

P

G

G

K

F

K

Q

D

Q

F

K

T

A

T

T

M

L

K

K

P

P

H

V

A

A

H

K

L

R

L

L

S

S

R

E

Y

L

L

L

G

L

K

R

Q

P

V

V

T

T

Y

F

V

A

D

P

D

D

I

C

F

L

G

N

T

-

F

-

A

A

K

A

T

D

H

V

I

V

A

S

S

K

M

M

E

S

D

P

G

G

D

D

V

V

I

V

M

L

L

L

E

E

N

N

V

V

R

R

F

F

Y

Y

S

K

E

E

S

G

L

S

E

K

R

K

T

A

P

K

A

D

E

R

Q

E

A

A

N

-

T

-

Y

-

M

M

V

A

K

K

K

I

L

L

A

A

P

S

F

Y

V

G

D

D

I

V

F

Y

L

I

N

S

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

D

H

S

L

A

S

T

V

M

V

T

G

G

F

I

T

P

E

K

V

I

L

L

P

G

S

N

G

G

A

A

-

A

G

G

R

Y

V

L

M

M

E

E

K

K

E

E

L

I

V

S

S

Y

L

F

D

A

R

K

G

V

V

L

K

G

G

N

G

P

E

P

R

R

P

P

S

L

I

V

F

A

V

I

L

V

G

G

G
|
G

A
|
A

K
|
K

V

V

D

S

D

D

S
x
K

L

I

R

Q

V

L

T

L

E

D

N

N

V

M

L

L

T

Q

S

R

G

-

A

I

D

D

R

Y

V

L

L

L

L

I

T

G

G

G

V
x
A

V

M

A

A

N
x
Y

V

T

A

F

L

L

A

K

A

A

S

Q

G

G

V

Y

N

S

I

I

G

G

K

K

V

-

N

-

M

-

D

-

F

-

I

-

K

-

S

S

Q

K

G

C

Y

E

E

E

N

S

Q

K

I

L

E

E

K

F

A

A

R

R

G

S

L

L

A

K

K

K

F

A

K

E

D

D

R

R

-

K

-

V

-

Q

I

V

G

I

L

L

P

P

K

I

D

D

V

H

A

V

L

C

N

H

D

T

N

E

R

F

E

K

R

A

V

V

E

D

V

-

H

-

I

-

S

S

E

P

L

L

N

I

S

T

D

E

S

D

L

Q

P

N

I

I

N

P

-

E

-

G

-

H

-

M

-

A

-
x
L

D

D

I

I

G

G

L

P

E

K

T

T

I

I

V

E

D

K

Y

Y

T

V

N

Q

E

T

I

I

Q

G

N

K

S

C

K

K

T

S

V

A

V

I

L

W

N

N

G

G

P
|
P

A

M

G
|
G

V
|
V

S

F

E
|
E

I

M

E

V

D

P

F

Y

A

S

L

K

G

G

T

T

H

F

E

A

I

I

I

A

K

K

A

A

A

M

I

G

K

R

S

G

D

T

-

H

-

E

-

H

-

G

-

L

F

M

S

S

I

I

G

G

G
|
G

H

D

I

S

S

A

V

S

E

A

V

A

A

E

H

L

L

S

G

G

L

E

E

A

H

K

R

R

F

M

S

S

H

H

I

V

S

S

T

T

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

T

L

L

P

P

G

G

V

V

E

T

S

V

L

L

active site: R35 (= R44), K215 (= K208), G372 (= G363), G395 (= G386)
binding 1,1,5,5-tetrafluorophosphopentylphosphonic acid adenylate ester: G213 (= G206), A214 (= A207), K219 (≠ S212), A238 (≠ V233), Y241 (≠ N236), L311 (vs. gap), P336 (= P332), G338 (= G334), V339 (= V335), E341 (= E337), G393 (= G384), G394 (= G385), G395 (= G386)

13pkA Ternary complex of phosphoglycerate kinase from trypanosoma brucei (see paper)
35% identity, 94% coverage: 12:403/416 of query aligns to 4:412/415 of 13pkA

query
sites
13pkA

T

S

I

I

D

N

D

E

F

C

D

D

I

L

R

K

G

G

K

K

T

K

I

V

L

L

L

I

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

V

D

K

T

-

Q

N

G

G

H

K

I

I

L

T

D

N

D

D

M

Y

R
|
R

I

I

K

R

S

S

H

A

I

L

A

P

T

T

L

L

K

K

D

K

L

V

-

L

-

T

E

E

S

G

A

G

K

S

V

C

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

K

-

G

-

I

-

P

-

M

-

A

-

Q

-

A

-

G

-

K

-

I

-

R

-

S

-

T

-

G

-

V

-

P

G

G

K

F

K

Q

D

Q

F

K

T

A

T

T

M

L

K

K

P

P

H

V

A

A

H

K

L

R

L

L

S

S

R

E

Y

L

L

L

G

L

K

R

Q

P

V

V

T

T

Y

F

V

A

D

P

D

D

I

C

F

L

G

N

T

-

F

-

A

A

K

A

T

D

H

V

I

V

A

S

S

K

M

M

E

S

D

P

G

G

D

D

V

V

I

V

M

L

L

L

E

E

N

N

V

V

R

R

F

F

Y

Y

S

K

E

E

S

G

L

S

E

K

R

K

T

A

P

K

A

D

E

R

Q

E

A

A

N

-

T

-

Y

-

M

M

V

A

K

K

K

I

L

L

A

A

P

S

F

Y

V

G

D

D

I

V

F

Y

L

I

N

S

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

D

H

S

L

A

S

T

V

M

V

T

G

G

F

I

T

P

E

K

V

I

L

L

P

G

S

N

G

G

A

A

-

A

G

G

R

Y

V

L

M

M

E

E

K

K

E

E

L

I

V

S

S

Y

L

F

D

A

R

K

G

V

V

L

K

G

G

N

G

P

E

P

R

R

P

P

S

L

I

V

F

A

V

I

L

V

G

G

G
|
G

A
|
A

K
|
K

V

V

D

S

D

D

S
x
K

L

I

R

Q

V

L

T

L

E

D

N

N

V

M

L

L

T

Q

S

R

G

-

A

I

D

D

R

Y

V

L

L

L

L

I

T

G

G

G

V

A

V

M

A

A

N

Y

V

T

A

F

L

L

A

K

A

A

S

Q

G

G

V

Y

N

S

I

I

G

G

K

K

V

-

N

-

M

-

D

-

F

-

I

-

K

-

S

S

Q

K

G

C

Y

E

E

E

N

S

Q

K

I

L

E

E

K

F

A

A

R

R

G

S

L

L

A

K

K

K

F

A

K

E

D

D

R

R

-

K

-

V

-

Q

I

V

G

I

L

L

P

P

K

I

D

D

V

H

A

V

L

C

N

H

D

T

N

E

R

F

E

K

R

A

V

V

E

D

V

-

H

-

I

-

S

S

E

P

L

L

N

I

S

T

D

E

S

D

L

Q

P

N

I

I

N

P

-

E

-

G

-

H

-

M

-

A

-
x
L

D

D

I

I

G

G

L

P

E

K

T

T

I

I

V

E

D

K

Y

Y

T

V

N

Q

E

T

I

I

Q

G

N

K

S

C

K

K

T

S

V

A

V

I

L

W

N

N

G

G

P
|
P

A

M

G
|
G

V
|
V

S

F

E
|
E

I

M

E

V

D

P

F

Y

A

S

L

K

G

G

T

T

H

F

E

A

I

I

I

A

K

K

A

A

A

M

I

G

K

R

S

G

D

T

-

H

-

E

-

H

-

G

-

L

F

M

S

S

I

I

G

G

G
|
G

H
x
D

I
x
S

S

A

V

S

E

A

V

A

A

E

H

L

L

S

G

G

L

E

E

A

H

K

R

R

F

M

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

T

L

L

P

P

G

G

V

V

E

T

S

V

L

L

active site: R35 (= R44), K215 (= K208), G372 (= G363), G395 (= G386)
binding adenosine-5'-diphosphate: G213 (= G206), A214 (= A207), K219 (≠ S212), L311 (vs. gap), P336 (= P332), G338 (= G334), V339 (= V335), E341 (= E337), G371 (= G362), D373 (≠ H364), S374 (≠ I365)

O60101 Phosphoglycerate kinase; EC 2.7.2.3 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
33% identity, 96% coverage: 5:405/416 of query aligns to 1:413/414 of O60101

query
sites
O60101

M

M

T

S

S

L

R

S

N

T

F

K

L

L

T

A

I

I

D

T

D

D

F

V

D

D

I

L

R

K

G

G

K

K

T

N

I

V

L

L

L

I

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

L

D

D

T

G

Q

D

G

-

H

R

I

I

L

T

D

N

M

A

R

R

I

I

K

V

S

G

H

A

I

L

A

P

T

T

L

I

K

K

-

Y

-

A

-

L

D

E

L

Q

E

Q

S

P

A

K

K

A

V

V

V

I

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

G

N

K

G

K

A

D

R

F

V

T

A

-

K

-
x
Y

T
x
S

M

L

K

K

P

P

H

V

A

A

H

A

L

E

L

L

S

S

R

K

Y

L

L

L

G

G

K

K

Q

P

V

V

T

K

Y

F

V

L

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

K

S

E

M

A

E

K

D

G

G

G

D

E

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

I

E

E

S

E

L

G

-

S

-

A

-

K

-

V

-

D

-

G

E

K

R

K

T

V

P

K

A

A

E

D

Q

A

A
x
S

N

A

T

V

Y

E

M

A

V

F

K

R

K

K

-

S

L

L

A

T

P

S

F

L

V

G

D

D

I

I

F

F

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L
x
S

S
|
S

V

M

V

V

G

G

F

V

T

D

E

-

V

-

L

L

P

P

S

R

G

V

A
x
S

G

G

R

F

V

L

M

M

E

K

K

K

E

E

L

L

V

D

S

Y

L

F

D

S

R

K

G

A

V

L

K

E

G

N

G

P

E

A

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

A

A

K

K

V

V

D

A

D

D

S

K

L

I

R

Q

V

L

T

I

E

D

N

N

V

L

L

L

T

D

S

K

G

-

A

V

D

N

R

R

V

L

L

I

T

C

G

G

V

G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

-

L

S

N

G

G

V

M

N

K

I

I

G

G

K

D

V
x
S

N

L

M

F

D

D

F

E

I

A

K

G

S
|
S

Q

K

G

N

Y

V

E

E

N

S

Q

M

I

M

E

A

K

K

A

A

R

K

G

-

L

-

A

-

K

K

F

N

K

N

D

V

R

E

I

V

G

F

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

K

V

D

E

A

V

K

H

V

I

G

S

S

E

A

L
x
T

N

A

S

E

D

E

S

G

L

I

P

P

I

D

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

K

T

S

I

S

V

A

D

K

Y

F

T

A

N

E

E

V

I

I

Q

T

N

T

S
|
S

K

K

T

T

V

I

V

V

L

W

N

N

G

G

P

P

A

A

G

G

V

V

S

F

E

E

I

F

E

D

D

N

F

F

A

A

L

K

G

G

T

T

H

K

E
x
S

I

M

I

L

K

D

A

A

A

C

I

V

K

K

S

T

-

C

-

E

-

A

-

G

D

N

F

V

S

V

I

I

I

V

G

G

H

D

I
x
T

S

A

V

T

E

V

V

A

A

K

H

K

L

Y

G

G

L

K

E

E

H

D

R

A

F

L

S
|
S

H

H

I

V

S
|
S

T

T

G

G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

A

L

L

P

P

G

G

V

V

E

V

S

A

L

L

K
x
S

A
x
S

Y75 (vs. gap) modified: Phosphotyrosine
S76 (≠ T76) modified: Phosphoserine
S143 (≠ A137) modified: Phosphoserine
S172 (≠ L165) modified: Phosphoserine
S173 (= S166) modified: Phosphoserine
S183 (≠ A178) modified: Phosphoserine
S253 (≠ V249) modified: Phosphoserine
S260 (= S256) modified: Phosphoserine
T299 (≠ L299) modified: Phosphothreonine
S328 (= S324) modified: Phosphoserine
S351 (≠ E347) modified: Phosphoserine
T373 (≠ I365) modified: Phosphothreonine
S387 (= S379) modified: Phosphoserine
S390 (= S382) modified: Phosphoserine
S412 (≠ K404) modified: Phosphoserine
S413 (≠ A405) modified: Phosphoserine

2x15A The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp and 1,3- bisphosphoglycerate
34% identity, 95% coverage: 9:403/416 of query aligns to 3:405/408 of 2x15A

query
sites
2x15A

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D
|
D

M

F

N
|
N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H
|
H

Q

L

S

G

R
|
R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R
|
R

F

F

Y

H

S

V

E

E

S

E

L

G

E

K

R

G

T

K

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

E

M

A

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V

G

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R
|
R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S
x
K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P
|
P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K207 (= K208), G365 (= G363), G388 (= G386)
binding adenosine-5'-diphosphate: G205 (= G206), A206 (= A207), K207 (= K208), K211 (≠ S212), G229 (= G232), G230 (≠ V233), N328 (= N330), P330 (= P332), G332 (= G334), V333 (= V335), E335 (= E337), G364 (= G362), G365 (= G363), D366 (≠ H364), T367 (≠ I365)
binding adenosine-5'-triphosphate: G205 (= G206), A206 (= A207), K207 (= K208), K211 (≠ S212), G229 (= G232), G230 (≠ V233), N328 (= N330), G332 (= G334), V333 (= V335), E335 (= E337), G364 (= G362), G365 (= G363), D366 (≠ H364), T367 (≠ I365), G387 (= G385), G388 (= G386)
binding 1,3-bisphosphoglyceric acid: D22 (= D28), N24 (= N30), R37 (= R44), H61 (= H65), R64 (= R68), R121 (= R122), R162 (= R162), K207 (= K208), K211 (≠ S212), G364 (= G362), G387 (= G385), G388 (= G386)

2wzdA The catalytically active fully closed conformation of human phosphoglycerate kinase k219a mutant in complex with adp, 3pg and aluminium trifluoride (see paper)
34% identity, 95% coverage: 9:403/416 of query aligns to 3:402/405 of 2wzdA

query
sites
2wzdA

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

S

E

L

G

E

K

R

G

T

E

P

P

A

A

E

K

-

I

Q

E

A

A

N

F

T

R

Y

A

M

S

V

L

K

S

K

K

L

L

A

G

P

-

F

-

V

-

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S

A

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P
|
P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K204 (= K208), G362 (= G363), G385 (= G386)
binding adenosine-5'-diphosphate: G202 (= G206), A203 (= A207), K204 (= K208), G226 (= G232), G227 (≠ V233), N325 (= N330), P327 (= P332), G329 (= G334), V330 (= V335), E332 (= E337), G361 (= G362), D363 (≠ H364), T364 (≠ I365)
binding aluminum fluoride: R37 (= R44), K204 (= K208), G361 (= G362), G362 (= G363), G384 (= G385)

2wzcA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp, 3pg and aluminium tetrafluoride (see paper)
34% identity, 95% coverage: 9:403/416 of query aligns to 3:402/405 of 2wzcA

query
sites
2wzcA

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

S

E

L

G

E

K

R

G

T

E

P

P

A

A

E

K

-

I

Q

E

A

A

N

F

T

R

Y

A

M

S

V

L

K

S

K

K

L

L

A

G

P

-

F

-

V

-

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S
x
K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P
|
P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K204 (= K208), G362 (= G363), G385 (= G386)
binding adenosine-5'-diphosphate: G202 (= G206), A203 (= A207), K204 (= K208), K208 (≠ S212), G226 (= G232), G227 (≠ V233), N325 (= N330), P327 (= P332), G329 (= G334), V330 (= V335), E332 (= E337), G361 (= G362), D363 (≠ H364), T364 (≠ I365)
binding tetrafluoroaluminate ion: R37 (= R44), K204 (= K208), K208 (≠ S212), G361 (= G362), G362 (= G363), G384 (= G385)

2wzbA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp, 3pg and magnesium trifluoride (see paper)
34% identity, 95% coverage: 9:403/416 of query aligns to 3:402/405 of 2wzbA

query
sites
2wzbA

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

S

E

L

G

E

K

R

G

T

E

P

P

A

A

E

K

-

I

Q

E

A

A

N

F

T

R

Y

A

M

S

V

L

K

S

K

K

L

L

A

G

P

-

F

-

V

-

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S
x
K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P
|
P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K204 (= K208), G362 (= G363), G385 (= G386)
binding adenosine-5'-diphosphate: G202 (= G206), A203 (= A207), K204 (= K208), K208 (≠ S212), G226 (= G232), G227 (≠ V233), N325 (= N330), P327 (= P332), G329 (= G334), V330 (= V335), E332 (= E337), G361 (= G362), D363 (≠ H364), T364 (≠ I365)
binding trifluoromagnesate: K204 (= K208), K208 (≠ S212), G361 (= G362), G384 (= G385), G385 (= G386)

P00558 Phosphoglycerate kinase 1; Cell migration-inducing gene 10 protein; Primer recognition protein 2; PRP 2; EC 2.7.2.3 from Homo sapiens (Human) (see 16 papers)
33% identity, 96% coverage: 5:403/416 of query aligns to 1:414/417 of P00558

query
sites
P00558

M
|
M

T

S

S

L

R

S

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D
|
D

M
x
F

N
|
N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H
|
H

Q
x
L

S
x
G

R
|
R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y
x
L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D
x
K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R
|
R

F

F

Y

H

S

V

E

E

-

E

-

G

-
x
K

-

G

-

K

-

D

-

A

S

S

L

G

E

N

R

K

T

V

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

E

M

A

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V
x
G

D

D

I

V

F

Y

L

V

N

N

D
|
D

A

A

F

F

A

G

V

T

A

A

H

H

R
|
R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E
x
K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R
|
R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

A

A

K
|
K

V

V

D

A

D

D

S
x
K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G

G

V

G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D
x
E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A
x
V

R

K

G
x
D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D
|
D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-
x
G

-

L

D
|
D

I
x
C

G

G

L

P

E

E

T

S

I

S

V

K

D
x
K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N

N

G

G

P

P

A

V

G

G

V

V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T
|
T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

M1 (= M5) modified: Initiator methionine, Removed
DFN 24:26 (≠ DMN 28:30) binding substrate
R39 (= R44) binding substrate
HLGR 63:66 (≠ HQSR 65:68) binding substrate
L88 (≠ Y87) to P: in PGK1D; with congenital non-spherocytic anemia; variant Matsue; dbSNP:rs137852531
K97 (≠ D96) modified: N6-(2-hydroxyisobutyryl)lysine; alternate
R123 (= R122) binding substrate
K131 (vs. gap) modified: N6-malonyllysine; alternate
G158 (≠ V149) to V: in PGK1D; with chronic hemolytic anemia; variant Shizuoka; dbSNP:rs137852532
D164 (= D155) to V: in PGK1D; with chronic hemolytic anemia and intellectual disability; variant Amiens; dbSNP:rs137852538
R171 (= R162) binding substrate
K191 (≠ E183) natural variant: Missing (in PGK1D; with chronic hemolytic anemia; variant Alabama)
R206 (= R198) to P: in PGK1D; with chronic hemolytic anemia; variant Uppsala; dbSNP:rs137852529
K216 (= K208) modified: N6-(2-hydroxyisobutyryl)lysine
K220 (≠ S212) binding ATP; modified: N6-(2-hydroxyisobutyryl)lysine
E252 (≠ D252) to A: in PGK1D; with chronic hemolytic anemia; variant Antwerp
V266 (≠ A266) to M: in PGK1D; with chronic non-spherocytic hemolytic anemia; variant Tokyo; dbSNP:rs431905501
D268 (≠ G268) to N: in Munchen; 21% of activity; dbSNP:rs137852528
D285 (= D282) to V: in PGK1D; with chronic hemolytic anemia; variant Herlev; 50% of activity; dbSNP:rs137852535
G313 (vs. gap) binding ATP
D315 (= D308) to N: in PGK1D; with rhabdomyolysis; variant Creteil; dbSNP:rs2149136994
C316 (≠ I309) to R: in PGK1D; with chronic hemolytic anemia; variant Michigan; dbSNP:rs137852533
K323 (≠ D316) modified: N6-(2-hydroxyisobutyryl)lysine
E344 (= E337) binding ATP
T352 (= T345) to N: in dbSNP:rs137852530
GGDT 373:376 (≠ GGHI 362:365) binding ATP

4axxA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp 3-phosphoglycerate and beryllium trifluoride
34% identity, 95% coverage: 9:403/416 of query aligns to 3:404/407 of 4axxA

query
sites
4axxA

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

S

E

L

-

E

G

R

K

T

A

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

E

M

A

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V

G

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S
x
K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P
|
P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K206 (= K208), G364 (= G363), G387 (= G386)
binding adenosine-5'-diphosphate: G204 (= G206), A205 (= A207), K210 (≠ S212), G228 (= G232), G229 (≠ V233), N327 (= N330), P329 (= P332), G331 (= G334), V332 (= V335), E334 (= E337), G363 (= G362), G364 (= G363), D365 (≠ H364), T366 (≠ I365)
binding beryllium trifluoride ion: K206 (= K208), K210 (≠ S212), G363 (= G362)

2y3iA The structure of the fully closed conformation of human pgk in complex with l-adp, 3pg and the tsa aluminium tetrafluoride (see paper)
33% identity, 95% coverage: 9:403/416 of query aligns to 3:412/414 of 2y3iA

query
sites
2y3iA

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

S

S

L

G

E

N

R

K

T

V

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

E

M

A

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V

G

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S

K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G

G

V

G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K

T

S

S

Q

L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R
x
F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N
|
N

G

G

P

P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H
x
D

I
x
T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R37 (= R44), K214 (= K208), G372 (= G363), G395 (= G386)
binding tetrafluoroaluminate ion: K214 (= K208), G371 (= G362), G372 (= G363), G394 (= G385)
binding l-adenosine-5'-diphosphate: G212 (= G206), A213 (= A207), F290 (≠ R289), N335 (= N330), G339 (= G334), V340 (= V335), E342 (= E337), G371 (= G362), G372 (= G363), D373 (≠ H364), T374 (≠ I365)

1ltkC Crystal structure of phosphoglycerate kinase from plasmodium falciparum, in the open conformation
33% identity, 95% coverage: 9:403/416 of query aligns to 12:421/424 of 1ltkC

query
sites
1ltkC

N

N

F

K

L

L

T

S

I

I

D

S

D

D

F

L

-

K

D

D

I

I

R

K

G

N

K

K

T

K

I

V

L

L

L

V

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

I

D

E

T

-

Q

N

G

G

H

I

I

I

L

K

D

D

D

T

M

N

R
|
R

I

I

K

T

S

A

H

T

I

L

A

P

T

T

L

I

K

N

D

H

L

L

E

K

-

K

-

E

-

G

S

A

A

S

K

K

V

I

L

L

L

I

A

S

H

H

Q

C

S

G

R

R

P

P

G

D

-

G

-

L

K

R

K

N

D

E

F

K

T

Y

T

T

M

L

K

K

P

P

H

V

A

A

H

E

L

T

L

L

S

K

R

G

Y

L

L

L

G

G

K

E

Q

E

V

V

T

L

Y

F

V

L

D

N

D

D

I

C

F

V

G

G

T

K

F

E

A

V

K

E

T

D

H

K

I

I

A

N

S

A

M

A

E

K

D

E

G

N

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

I

E

E

S

E

L

G

E

K

R

G

T

V

P

D

A

A

E

N

-

G

-

N

-

K

-

V

Q

K

A

A

N

N

T

K

Y

E

M

D

V

V

K

E

K

K

-

F

-

Q

-

N

-

D

L

L

A

T

P

K

F

L

V

A

D

D

I

V

F

F

L

I

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

-

T

V

E

K

V

L

L

N

P

V

S

K

G

A

A

S

G

G

R

F

V

L

M

M

E

K

K

K

E

E

L

L

V

E

S

Y

L

F

D

S

R

K

G

A

V

L

K

E

G

N

G

P

E

Q

R

R

P

P

S

L

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

S

D

D

S

K

L

I

R

Q

V

L

T

I

E

K

N

N

V

L

L

L

T

D

S

K

G

-

A

V

D

D

R

R

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

-

Y

N

T

V

F

A

K

L

K

A

V

A

L

S

N

G

N

V

M

N

K

I

I

G

G

K

T

V

S

N

L

M

F

D

D

F

E

I

A

K

G

S

S

Q

K

G

I

Y

V

E

G

N

E

Q

I

I

M

E

E

K

K

A

A

R

K

G

A

L

K

L

N

A

V

K

-

F

-

K

-

D

-

R

Q

I

I

G

F

L

L

P

P

K

V

D

D

V

F

A

K

L

I

N

A

D

D

N

N

R

F

E

D

R

N

V

N

E

A

V

N

H

T

I

K

S

F

E

V

L

T

N

D

S

E

D

E

S

G

L

I

P

P

I

D

N

N

D

W

I

M

G

G

L

L

E

D

-

A

-

G

-

P

-

K

T

S

I

I

V

E

D

N

Y

Y

T

K

N

D

E

V

I

I

Q

L

N

T

S

S

K

K

T

T

V

V

V

I

L

W

N

N

G

G

P

P

A

Q

G
|
G

V
|
V

S

F

E
|
E

I

M

E

P

D

N

F

F

A

A

L

K

G

G

T

S

H

I

E

E

-

C

-

L

-

N

-

L

I

V

K

E

A

V

A

T

I

K

K

K

S

G

D

A

F

I

S

T

I

I

I

V

G

G

G
|
G

H
x
D

I

T

S

A

V

S

E

L

V

V

A

E

H

Q

L

Q

G

N

L

K

E

K

H

N

R

E

F

I

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

E

L

L

P

P

G

G

V

V

E

L

S

A

L

L

active site: R47 (= R44), K223 (= K208), G381 (= G363), G404 (= G386)
binding adenosine monophosphate: G221 (= G206), A222 (= A207), K223 (= K208), G245 (= G232), G246 (≠ V233), G348 (= G334), V349 (= V335), E351 (= E337), D382 (≠ H364)

4o33A Crystal structure of human pgk1 3pg and terazosin(tzn) ternary complex (see paper)
33% identity, 96% coverage: 5:403/416 of query aligns to 1:414/417 of 4o33A

query
sites
4o33A

M

M

T

S

S

L

R

S

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

D

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

N

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

-

D

-

G

-

V

G

P

K

M

K

P

D

D

F

K

T

Y

T

S

M

L

K

E

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

N

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

S

S

L

G

E

N

R

K

T

V

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

E

M

A

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V

G

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

Q

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

A

A

K
|
K

V

V

D

A

D

D

S

K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

S

L

G

N

V

-

N

-

I

-

G

-

K

-

V

-

N

N

M

M

D

E

F

I

I

G

K
x
T

S

S

Q
x
L

G

F

Y

D

E

E

N

E

Q

G

I

A

E

K

K

I

A

V

R

K

G

D

L

L

L

M

A

S

K

K

F

A

K

E

D

K

-

N

-

G

-

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R
x
F

E

D

R

E

V

N

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-
x
M

-
x
G

-
x
L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

A

N

E

E

A

I

V

Q

T

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N

N

G

G

P

P

A

V

G
|
G

V
|
V

S

F

E

E

I

W

E

E

D

A

F

F

A

A

L

R

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

T

I

I

G

G

G
|
G

H

D

I

T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R39 (= R44), K216 (= K208), G374 (= G363), G397 (= G386)
binding [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone: G238 (= G232), G239 (≠ V233), T255 (≠ K255), L257 (≠ Q257), F292 (≠ R289), M312 (vs. gap), G313 (vs. gap), L314 (vs. gap), G341 (= G334), V342 (= V335)

1kf0A Crystal structure of pig muscle phosphoglycerate kinase ternary complex with amp-pcp and 3pg (see paper)
33% identity, 95% coverage: 9:403/416 of query aligns to 4:413/416 of 1kf0A

query
sites
1kf0A

N

N

F

K

L

L

T

T

I

L

D

D

D

K

F

L

D

N

I

V

R

K

G

G

K

K

T

R

I

V

L

V

L

M

R

R

V

V

D

D

M

F

N

N

S

V

P

P

M

M

D

K

T

N

Q

N

G

-

H

Q

I

I

L

T

D

N

M

Q

R
|
R

I

I

K

K

S

A

H

A

I

V

A

P

T

S

L

I

K

K

-

F

-

C

-

L

D

D

L

D

E

G

S

A

A

K

K

S

V

V

L

L

L

M

A

S

H

H

Q

L

S

G

R

R

P

P

G

D

K

G

K

S

-

P

-

M

-

P

D

D

F

K

T

Y

T

S

M

L

K

Q

P

P

H

V

A

A

H

V

L

E

L

L

S

K

R

S

Y

L

L

L

G

G

K

K

Q

D

V

V

T

L

Y

F

V

L

D

K

D

D

I

C

F

V

G

G

T

P

F

E

A

V

K

E

T

K

H

A

I

C

A

A

S

D

M

P

E

A

D

A

G

G

D

S

V

V

I

I

M

L

L

L

E

E

N

N

V

L

R

R

F

F

Y

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

S

S

L

G

E

N

R

K

T

V

P

K

A

A

E

E

Q

P

A

A

N

K

T

I

Y

K

M

T

V

F

K

R

-

A

K

S

L

L

A

S

P

K

F

L

V

G

D

D

I

V

F

Y

L

V

N

N

D

D

A

A

F

F

A

G

V

T

A

A

H

H

R

R

S

A

H

H

L

S

S

S

V

M

V

V

G

G

F

V

T

N

E

-

V

-

L

L

P

P

S

K

G

K

A

A

G

G

R

G

-

F

V

L

M

M

E

K

K

K

E

E

L

L

V

N

S

Y

L

F

D

A

R

K

G

A

V

L

K

E

G

S

G

P

E

E

R

R

P

P

S

F

I

L

F

A

V

I

L

L

G

G

G
|
G

A
|
A

K
|
K

V

V

D

A

D

D

S

K

L

I

R

Q

V

L

T

I

E

N

N

N

V

M

L

L

T

D

S

K

G

-

A

V

D

N

R

E

V

M

L

I

T

G

G
|
G

V
x
G

V

M

A

A

N

F

V

T

A

F

L

L

A

K

A

V

-

L

S

N

G

N

V

M

N

E

I

I

G

G

K

T

V

S

N

L

M

F

D

D

F

E

I

E

K

G

S

A

Q

K

G

I

Y

V

E

K

N

N

Q

L

I

M

E

S

K

K

A

A

R

E

G

-

L

-

A

-

K

K

F

N

K

G

D

V

R

K

I

I

G

T

L

L

P

P

K

V

D

D

V

F

A

V

L

T

N

A

D

D

N

K

R

F

E

D

R

E

V

H

E

A

V

K

H

T

I

G

S

Q

E

A

L

T

N

V

S

A

D

S

S

G

L

I

P

P

I

A

N

G

-

W

-

M

-

G

-

L

D

D

I

C

G

G

L

P

E

E

T

S

I

S

V

K

D

K

Y

Y

T

S

N

E

E

A

I

V

Q

A

N

R

S

A

K

K

T

Q

V

I

V

V

L

W

N

N

G

G

P

P

A

V

G
|
G

V
|
V

S

F

E
|
E

I

W

E

E

D

A

F

F

A

A

L

Q

G

G

T

T

H

K

-

A

-

L

-

M

-

D

E

E

I

V

K

K

A

A

A

T

I

S

K

R

S

G

D

C

F

I

S

T

I

I

G

G

G
|
G

H

D

I

T

S

A

V

T

E

C

V

C

A

A

H

K

L

W

G

N

L

T

E

E

H

D

R

K

F

V

S

S

H

H

I

V

S

S

T

T

G

G

G
|
G

A

A

C

S

I

L

D

E

Y

L

L

L

A

E

G

G

E

K

K

V

L

L

P

P

G

G

V

V

E

D

S

A

L

L

active site: R38 (= R44), K215 (= K208), G373 (= G363), G396 (= G386)
binding phosphomethylphosphonic acid adenylate ester: G213 (= G206), A214 (= A207), G237 (= G232), G238 (≠ V233), G340 (= G334), V341 (= V335), E343 (= E337)

Query Sequence

>WP_011023501.1 NCBI__GCF_000007345.1:WP_011023501.1
MLRVMTSRNFLTIDDFDIRGKTILLRVDMNSPMDTQGHILDDMRIKSHIATLKDLESAKV
VLLAHQSRPGKKDFTTMKPHAHLLSRYLGKQVTYVDDIFGTFAKTHIASMEDGDVIMLEN
VRFYSEESLERTPAEQANTYMVKKLAPFVDIFLNDAFAVAHRSHLSVVGFTEVLPSGAGR
VMEKELVSLDRGVKGGERPSIFVLGGAKVDDSLRVTENVLTSGGADRVLLTGVVANVALA
ASGVNIGKVNMDFIKSQGYENQIEKARGLLAKFKDRIGLPKDVALNDNRERVEVHISELN
SDSLPINDIGLETIVDYTNEIQNSKTVVLNGPAGVSEIEDFALGTHEIIKAAIKSDFSII
GGGHISVEVAHLGLEHRFSHISTGGGACIDYLAGEKLPGVESLKAAYIKYQEAKKL

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