SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_014026822.1 NCBI__GCF_000223395.1:WP_014026822.1 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)
43% identity, 97% coverage: 11:420/423 of query aligns to 4:405/410 of O58965

query
sites
O58965

I

L

E

E

D

D

L

F

E

N

N

F

H

H

L

-

G

-

L

-

K

-

G

N

K

K

K

T

L

V

L

F

V

L

R

R

V

V

D

D

F

L

N

N

S

S

P

P

V

M

N

-

P

-

Q

K

T

D

G

G

E

K

I

I

D

S

Y

D

S

A

R
|
R

I

F

E

K

A

A

H

V

V

L

P

P

T

T

L

I

R

R

E

Y

L

L

L

I

E

E

R

S

G

G

A

A

A

K

L

V

V

V

V

I

I

G

S

T

H

H

Q

Q

G

G

K

K

P

P

G

Y

S

S

S

E

D

D

F

Y

I

T

T

T

L

T

E

E

Q

E

H

H

A

A

S

R

I

V

L

L

S

S

K

E

L

L

G

D

V

Q

D

H

V

V

A

E

F

Y

V

I

D

E

D

D

V

I

I

F

G

G

P

R

A

Y

A

A

R

R

E

E

A

K

I

I

K

K

K

E

L

L

E

K

P

S

G

G

S

E

I

V

L

A

M

I

L

L

D

E

N

N

T

L

R

R

L

F

L

S

S

A

E

E

V

V

I

K

E

N

A

K

P

P

P

I

E

E

K

E

H

C

A

E

K

K

T

T

I

F

F

L

V

V

K

K

R

K

L

L

A

S

P

K

L

V

F

I

D

D

G

Y

Y

V

I

V

N

N

D

D

A

A

F

F

A

A

A

T

I

A

H

H

R

R

S

S

Q

Q

P

P

S

S

I

L

V

V

G

G

F

F

P

A

M

R

L

I

L

K

P

P

S

M

A

I

A

M

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

I

D

E

A

A

L

L

S

M

K

R

I

A

F

Y

N

Y

P

S

S

K

V

D

A

S

P

P

K

K

V

I

F

Y

V

V

L

L

G

G

G

A

K

K

V

V

T

E

D

D

S

S

V

L

K

K

I

V

V

V

E

E

A

N

L

V

L

L

E

R

R

R

K

E

V

R

A

A

D

D

Y

L

I

V

L

L

T

T

G

G

L

L

L

V

A

A

T

N

L

V

L

F

L

T

H

L

A

A

K

K

G

G

V

F

D

D

I

L

G

G

E

R

K

K

N

N

V

V

E

E

V

F

L

M

K

K

S

K

A

K

G

G

V

L

N

L

E

D

L

Y

V

V

I

-

E

K

K

H

A

A

R

E

L

I

I

L

E

D

A

E

H

F

K

Y

D

P

V

Y

I

I

V

R

T

T

P

P

V

V

D

D

F

F

K

A

V

V

E

D

I

Y

D

K

G

G

E

E

V

R

E

V

T

E

V

I

N

D

V

L

G

L

E

S

P

E

I

N

R

R

G

G

-

L

-

H

-

Q

-

Y

Y

Q

I

I

R

M

D

D

I

I

G

G

P

K

E

R

T

T

V

A

K

E

L

K

Y

Y

Q

R

E

E

R

I

M

L

E

M

G

K

A

A

K

R

L

I

I

I

V

V

M

A

R

N

G

G

P

P

M

M

G

G

V

V

M

F

E

E

D

R

E

E

R

E

F

F

R

A

A

I

G

G

T

T

E

V

E

E

L

V

V

F

E

K

Y

A

A

I

L

A

K

D

S

S

G

P

A

A

Y

F

V

S

I

V

F

L

G

G

H

H

L

-

A

-

S

S

V

I

A

A

R

S

R

-

V

-

I

I

R

Q

S

K

E

Y

G

G

I

I

P

T

A

G

A

I

R

T

Y

-

H

H

I

I

S

S

S

T

G

G

A

A

L

M

L

L

L

S

Y

F

L

F

S

A

G

G

K

E

P

E

L

L

P

P

G

V

I

L

E

R

A

A

L

L

K

Q

L

I

S

S

A

Y

A

E

K

K

F

F

R34 (= R48) binding substrate

1vpeA Crystallographic analysis of phosphoglycerate kinase from the hyperthermophilic bacterium thermotoga maritima (see paper)
37% identity, 94% coverage: 21:418/423 of query aligns to 10:398/398 of 1vpeA

query
sites
1vpeA

L

L

K

K

G

G

K

K

K

R

L

V

L

I

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

V

N

-

P

-

Q

K

T

D

G

G

E

V

I

V

I

Q

D

D

Y

D

S

T

R
|
R

I

I

E

R

A

A

H

A

V

L

P

P

T

T

L

I

R

K

E

Y

L

A

L

L

E

E

R

Q

G

G

A

A

A

K

L

V

V

I

V

L

I

L

S

S

H

H

Q

L

G

G

K

R

P

P

G

K

-

G

-

E

-

P

S

S

S

P

D

E

F

F

I

-

T

S

L

L

E

A

Q

P

H

V

A

A

S

K

I

R

L

L

S

S

K

E

L

L

G

G

V

K

D

E

V

V

A

K

F

F

V

V

D

P

D

A

V

V

I

V

G

G

P

D

A

E

A

V

R

K

E

K

A

A

I

V

K

E

L

L

E

K

P

E

G

G

S

E

I

V

L

L

M

L

L

L

D

E

N

N

T

T

R

R

L

F

L

-

S

-

E

-

V

-

I

-

E

-

A

H

P

P

P

G

E

E

K

T

H

K

A

N

K

D

T

P

I

E

F

L

V

A

K

K

R

F

L

W

A

A

P

S

L

L

F

A

D

D

G

I

Y

H

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

A

S

S

I

N

V

V

G

G

F

I

P

A

M

Q

L

F

L

I

P

P

S

S

A

V

A

A

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

I

D

K

A

F

L

L

S

S

K

K

I

V

-

T

F

Y

N

N

P

P

S

E

V

-

A

K

P

P

K

Y

V

V

F

V

V

V

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

S

D

D

S
x
K

V

I

K

G

I

V

V

I

E

T

A

N

L

L

L

M

E

E

R

K

K

-

V

-

A

A

D

D

Y

R

I

I

L

L

T

I

G

G

G
|
G

L
x
A

L

M

A

M

T

F

L

T

L

F

L

L

H

K

A

A

K

L

G

G

V

K

D

E

I

V

G

G

E

S

K

S

N

R

V

V

E

E

V

-

L

-

K

-

S

-

A

-

G

-

V

-

N

-

E

E

L

D

V

K

I

I

E

D

K

L

A

A

R

K

R

E

L

L

I

V

E

E

A

K

H

A

K

K

D

E

V

K

-

G

-

V

-

E

I

I

V

V

T

L

P

P

V

V

D

D

F

A

-

V

-

I

-

A

-

Q

K

K

V

I

E

E

I

P

D

G

G

V

E

E

V

K

E

K

T

V

V

V

N

R

V

I

G

D

E

D

P

G

I

I

-

P

R

E

G

G

Y

W

I

M

-

G

R

L

D

D

I

I

G

G

P

P

E

E

T

T

V

I

K

E

L

L

Y

F

Q

K

E

Q

R

K

M

L

E

S

G

D

A

A

K

K

L

T

I

V

V

V

M

W

R
x
N

G

G

P
|
P

M

M

G
|
G

V
|
V

M

F

E
|
E

D

I

E

D

R

D

F

F

R

A

A

E

G

G

T

T

E

K

E

Q

L

V

-

A

-

L

-

A

V

I

E

A

Y

A

A

L

L

T

K

E

S

K

G

G

A

A

Y

I

V

T

I

V

F

V

G

G

G
|
G

H
x
D

L
x
S

A

A

S

A

V

A

A

V

R

N

R

K

V

F

I

-

R

-

S

-

E

-

G

G

I

L

P

E

A

D

A

K

R

F

Y

S

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

F

L

L

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

I

E

A

A

S

L

M

K

R

L

I

S

K

A

K

A

A

active site: R35 (= R48), K196 (= K214), G353 (= G369), G376 (= G396)
binding phosphoaminophosphonic acid-adenylate ester: G194 (= G212), A195 (≠ G213), K196 (= K214), K200 (≠ S218), G218 (= G238), A219 (≠ L239), N316 (≠ R335), P318 (= P337), G320 (= G339), V321 (= V340), E323 (= E342), G352 (= G368), G353 (= G369), D354 (≠ H370), S355 (≠ L371)

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, 93% coverage: 21:413/423 of query aligns to 11:394/654 of P36204

query
sites
P36204

L

L

K

K

G

G

K

K

K

R

L

V

L

I

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

V

N

-

P

-

Q

K

T

D

G

G

E

V

I

V

I

Q

D

D

Y

D

S

T

R
|
R

I

I

E

R

A

A

H

A

V

L

P

P

T

T

L

I

R

K

E

Y

L

A

L

L

E

E

R

Q

G

G

A

A

A

K

L

V

V

I

V

L

I

L

S

S

H

H

Q

L

G

G

K

R

P

P

G

K

-

G

-

E

-

P

S

S

S

P

D

E

F

F

I

-

T

S

L

L

E

A

Q

P

H

V

A

A

S

K

I

R

L

L

S

S

K

E

L

L

G

G

V

K

D

E

V

V

A

K

F

F

V

V

D

P

D

A

V

V

I

V

G

G

P

D

A

E

A

V

R

K

E

K

A

A

I

V

K

E

L

L

E

K

P

E

G

G

S

E

I

V

L

L

M

L

L

L

D

E

N

N

T

T

R
|
R

L

F

L

-

S

-

E

-

V

-

I

-

E

-

A

H

P

P

P

G

E

E

K

T

H

K

A

N

K

D

T

P

I

E

F

L

V

A

K

K

R

F

L

W

A

A

P

S

L

L

F

A

D

D

G

I

Y

H

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R
|
R

S

A

Q

H

P

A

S

S

I

N

V

V

G

G

F

I

P

A

M

Q

L

F

L

I

P

P

S

S

A

V

A

A

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

I

D

K

A

F

L

L

S

S

K

K

I

V

-

T

F

Y

N

N

P

P

S

E

V

-

A

K

P

P

K

Y

V

V

F

V

V

V

L

L

G

G

G

A

K

K

V

V

T

S

D

D

S

K

V

I

K

G

I

V

V

I

E

T

A

N

L

L

L

M

E

E

R

K

K

-

V

-

A

A

D

D

Y

R

I

I

L

L

T

I

G

G

L

A

L

M

A

M

T

F

L

T

L

F

L

L

H

K

A

A

K

L

G

G

V

K

D

E

I

V

G

G

E

S

K

S

N

R

V

V

E

E

V

-

L

-

K

-

S

-

A

-

G

-

V

-

N

-

E

E

L

D

V

K

I

I

E

D

K

L

A

A

R

K

R

E

L

L

I

L

E

E

A

K

H

A

K

K

D

E

V

K

-

G

-

V

-

E

I

I

V

V

T

L

P

P

V

V

D

D

F

A

-

V

-

I

-

A

-

Q

K

K

V

I

E

E

I

P

D

G

G

V

E

E

V

K

E

K

T

V

V

V

N

R

V

I

G

D

E

D

P

G

I

I

-

P

R

E

G

G

Y

W

I

M

-

G

R

L

D

D

I

I

G

G

P

P

E

E

T

T

V

I

K

E

L

L

Y

F

Q

K

E

Q

R

K

M

L

E

S

G

D

A

A

K

K

L

T

I

V

V

V

M

W

R

N

G

G

P

P

M

M

G

G

V

V

M

F

E

E

D

I

E

D

R

D

F

F

R

A

A

E

G

G

T

T

E

K

E

Q

L

V

-

A

-

L

-

A

V

I

E

A

Y

A

A

L

L

T

K

E

S

K

G

G

A

A

Y

I

V

T

I

V

F

V

G

G

H

D

L

S

A

A

S

A

V

A

A

V

R

N

R

K

V

F

I

-

R

-

S

-

E

-

G

G

I

L

P

E

A

D

A

K

R

F

Y

S

H

H

I

V

S

S

S

T

G

G

A

A

L

S

L

L

L

E

Y

F

L

L

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

I

E

A

A

S

L

I

R36 (= R48) binding substrate
R118 (= R128) binding substrate
R151 (= R168) binding substrate

O60101 Phosphoglycerate kinase; EC 2.7.2.3 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
34% identity, 93% coverage: 21:413/423 of query aligns to 14:411/414 of O60101

query
sites
O60101

L

L

K

K

G

G

K

K

K

N

L

V

L

L

V

I

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

L

N

D

P

G

Q

D

T

-

G

-

E

R

I

I

I

T

D

N

Y

N

S

A

R

R

I

I

E

V

A

G

H

A

V

L

P

P

T

T

L

I

R

K

E

Y

L

A

L

L

E

E

R

Q

G

Q

-

P

A

K

A

A

L

V

V

I

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

N

S

G

S

A

D

R

F

V

-

A

-

K

I
x
Y

T
x
S

L

L

E

K

Q

P

H

V

A

A

S

A

I

E

L

L

S

S

K

K

L

L

G

G

V

K

D

P

V

V

A

K

F

F

V

L

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

K

K

E

L

A

E

K

P

G

G

G

S

E

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

I

E

E

V

E

I

G

E

S

A

A

-

K

-

V

-

D

-

G

-

K

-

V

P

K

P

A

E

D

K

A

H
x
S

A

A

K

V

T

E

I

A

F

F

V

R

K

K

R

S

L

L

A

T

P

S

L

L

F

G

D

D

G

I

Y

F

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P
x
S

S
|
S

I

M

V

V

G

G

F

V

P

D

M

-

L

-

L

L

P

P

S

R

A

V

A
x
S

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

D

A

Y

L

F

S

S

K

K

I

A

F

L

N

E

P

N

S

P

V

A

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G

A

K

K

V

V

T

A

D

D

S

K

V

I

K

Q

I

L

V

I

E

D

A

N

L

L

E

D

R

-

K

K

V

V

A

N

D

R

Y

L

I

I

L

I

T

C

G

G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

G

V

M

D

K

I

I

G

G

E

D

K
x
S

N

L

V

F

E

D

V

E

L

A

K

G

S
|
S

A

K

G

N

V

V

N

E

E

S

L

M

V

M

I

A

E

K

K

A

A

K

R

K

R

N

L

N

I

V

E

E

A

-

H

-

K

-

D

-

V

-

I

V

V

F

T

L

P

P

V

V

D

D

F

F

-

V

-

T

-

A

-

D

K

K

V

F

E

D

I

K

D

D

G

A

E

K

V

V

E

G

T

S

V

A

N
x
T

V

A

G

E

E

E

P

G

I

I

-

P

R

D

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

K

T

S

V

S

K

A

L

K

Y

F

Q

A

E

E

R

V

M

I

E

T

G

T

A
x
S

K

K

L

T

I

I

V

V

M

W

R

N

G

G

P

P

M

A

G

G

V

V

M

F

E

E

D

F

E

D

R

N

F

F

R

A

A

K

G

G

T

T

E

K

E
x
S

L

M

V

L

E

D

Y

A

A

C

L

V

K

K

S

T

-

C

-

E

-

A

G

G

A

N

Y

V

V

V

I

I

F

V

G

G

H

D

L
x
T

A

A

S

T

V

V

A

A

R

K

V

Y

I

G

R

K

S

E

E

D

G

A

I

L

P
x
S

A

-

R

-

Y

-

H

H

I

V

S
|
S

S

T

G

G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

A

L

L

P

P

G

G

I

V

E

V

A

A

L

L

Y75 (≠ I81) modified: Phosphotyrosine
S76 (≠ T82) modified: Phosphoserine
S143 (≠ H142) modified: Phosphoserine
S172 (≠ P171) modified: Phosphoserine
S173 (= S172) modified: Phosphoserine
S183 (≠ A184) modified: Phosphoserine
S253 (≠ K255) modified: Phosphoserine
S260 (= S262) modified: Phosphoserine
T299 (≠ N302) modified: Phosphothreonine
S328 (≠ A329) modified: Phosphoserine
S351 (≠ E352) modified: Phosphoserine
T373 (≠ L371) modified: Phosphothreonine
S387 (≠ P385) modified: Phosphoserine
S390 (= S392) modified: Phosphoserine

Sites not aligning to the query:

412 modified: Phosphoserine
413 modified: Phosphoserine

2paaA Crystal structure of phosphoglycerate kinase-2 bound to atp and 3pg (see paper)
36% identity, 93% coverage: 21:413/423 of query aligns to 10:410/413 of 2paaA

query
sites
2paaA

L

L

K

K

G

G

K

K

K

R

L

V

L

I

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

I

P

P

T

S

L

I

R

K

E

H

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

I

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

D

I

E

L

L

S

K

K

S

L

L

G

N

V

K

D

D

V

V

A

I

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

Q

A

A

I

C

K

A

K

N

L

P

E

D

P

N

G

G

S

S

I

I

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

S

-

G

-

K

V

K

I

I

E

S

A

A

P

D

P

P

E

A

K

K

H

V

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

S

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

D

A

Y

L

F

S

S

K

K

I

A

F

L

N

E

P

K

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

K

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

K

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

F

Y

M

I

I

L

I

T

G

G

G

G
|
G

L

M

L

A

A

Y

T

T

L

F

L

L

L

K

H

E

A

L

K

K

G

N

V

M

D

Q

I

I

G

G

E

A

K

S

N
x
L

V

F

E

D

V

E

L

E

K

G

S

A

A

T

G

I

V

V

N

K

E

E

L

-

V

I

I

M

E

E

K

K

A

A

R

-

L

-

I

-

E

E

A

K

H

N

K

G

D

V

V

K

I

I

V

V

T

F

P

P

V

V

D

D

F

F

-

V

-

T

-

G

-

D

K

K

V

F

E

D

I

E

D

N

G

A

E

K

V

V

-

G

-

Q

E

A

T

T

V

I

N

E

V

S

G

G

E

I

P

P

I

S

R

G

G

W

Y

M

I
x
G

R
x
L

D

D

I

C

G

G

P

P

E

E

T

S

V

I

K

K

L

I

Y

N

Q

A

E

Q

R

I

M

V

E

A

G

Q

A

A

K

K

L

L

I

I

V

V

M

W

R

N

G
|
G

P

P

M

I

G
|
G

V
|
V

M

F

E
|
E

D

W

E

D

R

A

F

F

R

A

A

K

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

-

A

-

T

-

S

S

N

G

G

A

C

Y

V

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L

T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

-

R

-

S

-

E

-

G

G

I

T

P

E

A

D

A

K

R

V

Y

S

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

I

L

L

P

P

G

G

I

V

E

E

A

A

L

L

active site: R35 (= R48), K212 (= K214), G370 (= G369), G393 (= G396)
binding adenosine-5'-triphosphate: G210 (= G212), A211 (≠ G213), K216 (≠ S218), G235 (= G238), L253 (≠ N256), G309 (≠ I311), L310 (≠ R312), G334 (= G336), G337 (= G339), V338 (= V340), E340 (= E342), D371 (≠ H370)

P09041 Phosphoglycerate kinase 2; Phosphoglycerate kinase, testis specific; EC 2.7.2.3 from Mus musculus (Mouse) (see paper)
36% identity, 93% coverage: 21:413/423 of query aligns to 14:414/417 of P09041

query
sites
P09041

L

L

K

K

G

G

K

K

K

R

L

V

L

I

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R

R

I

I

E

K

A

A

H

A

V

I

P

P

T

S

L

I

R

K

E

H

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

I

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

D

I

E

L

L

S

K

K

S

L

L

G

N

V

K

D

D

V

V

A

I

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

Q

A

A

I

C

K

A

K

N

L

P

E

D

P

N

G

G

S

S

I

I

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

S

-

G

-

K

V

K

I

I

E

S

A

A

P

D

P

P

E

A

K

K

H

V

A

-

K

-

T

E

I

A

F

F

V

Q

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

T

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

S

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

D

A

Y

L

F

S

S

K

K

I

A

F

L

N

E

P

K

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G

A

K

K

V

V

T

K

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

K

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

F

Y

M

I

I

L

I

T

G

G

G

L

M

L

A

A

Y

T

T

L

F

L

L

L

K

H

E

A

L

K

K

G

N

V

M

D

Q

I

I

G

G

E

A

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

T

G

I

V

V

N

K

E

E

L

-

V

I

I

M

E

E

K

K

A

A

R

-

L

-

I

-

E

E

A

K

H

N

K

G

D

V

V

K

I

I

V

V

T

F

P

P

V

V

D

D

F

F

-

V

-

T

-

G

-

D

K

K

V

F

E

D

I

E

D

N

G

A

E

K

V

V

-

G

-

Q

E

A

T

T

V

I

N

E

V

S

G

G

E

I

P

P

I

S

R

G

G

W

Y

M

I
x
G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

I

K

K

L

I

Y

N

Q

A

E

Q

R

I

M

V

E

A

G

Q

A

A

K

K

L

L

I

I

V

V

M

W

R

N

G

G

P

P

M

I

G

G

V

V

M

F

E
|
E

D

W

E

D

R

A

F

F

R

A

A

K

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

-

A

-

T

-

S

S

N

G

G

A

C

Y

V

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

-

R

-

S

-

E

-

G

G

I

T

P

E

A

D

A

K

R

V

Y

S

H

H

I

V

S

S

S

T

G

G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

I

L

L

P

P

G

G

I

V

E

E

A

A

L

L

K220 (≠ S218) binding ATP
G313 (≠ I311) binding ATP
E344 (= E342) binding ATP
GGDT 373:376 (≠ GGHL 368:371) binding ATP

P00560 Phosphoglycerate kinase; EC 2.7.2.3 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 3 papers)
36% identity, 95% coverage: 11:413/423 of query aligns to 9:412/416 of P00560

query
sites
P00560

I

V

E

Q

D

D

L

L

E

D

N

-

H

-

L

-

G

-

L

L

K

K

G

D

K

K

K

R

L

V

L

F

V

I

R
|
R

V

V

D

D

F

F

N

N

S

V

P

P

V

L

N

D

P

G

Q

K

T

-

G

-

E

K

I

I

I

T

D

S

Y

N

S

Q

R
|
R

I

I

E

V

A

A

H

A

V

L

P

P

T

T

L

I

R

K

E

Y

L

V

L

L

E

E

R

H

G

H

A

P

A

R

L

Y

V

V

I

L

-

A

S

S

H

H

Q

L

G

G

K

R

P

P

G

N

S

G

-

E

-

R

S

N

D

E

F

K

I

Y

T

S

L

L

E

A

Q

P

H

V

A

A

S

K

I

E

L

L

S

Q

K

S

L

L

G

G

V

K

D

D

V

V

A

T

F

F

V

L

D

N

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

A

A

A

I

V

K

K

K

A

L

S

E

A

P

P

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R
|
R

L

Y

L

H

S

I

E

E

-

E

-

G

-

S

-

R

-

K

-

V

-

D

-

G

-

Q

V

K

I

V

E

K

A

A

P

S

P

K

E

E

K

D

H

V

A

Q

K

K

T

-

I

-

F

F

V

R

K

H

R

E

L

L

A

S

P

S

L

L

F

A

D

D

G

V

Y

Y

I

I

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R
|
R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

F

P

D

M

-

L

-

L

L

P

P

S

Q

-

R

A

A

G

G

R

F

L

L

V

L

Q

E

R

K

E

E

M

L

D

K

A

Y

L

F

S

G

K

K

I

A

F

L

N

E

P

N

S

P

V

T

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G

A

K

K

V

V

T

A

D

D

S

K

V

I

K

Q

I

L

V

I

E

D

A

N

L

L

E

D

R

-

K

K

V

V

A

D

D

S

Y

I

I

I

L

I

T

G

G

G

L

M

L

A

A

F

T

T

L

F

L

K

H

V

A

L

K

E

G

N

V

T

D

E

I

I

G

G

E

D

K

-

N

-

V

-

E

S

V

I

L

F

K

D

S

K

A

A

G

G

V

A

N

E

E

-

L

-

V

I

I

V

E

P

K

K

A

L

R

M

R

E

L

K

I

A

E

K

A

A

H

K

K

G

D

V

V

E

I

V

V

V

T

L

P

P

V

V

D

D

F

F

K

I

V

I

-

A

-

D

-

A

-

F

E

S

I

A

D

D

G

A

E

N

V

T

E

K

T

T

V

V

N

T

V

D

G

K

E

E

P

G

I

I

R

P

G

A

Y

G

I

W

R

Q

-

G

-

L

D

D

I

N

G

G

P

P

E

E

T

S

V

R

K

K

L

L

Y

F

Q

A

E

A

R

T

M

V

E

A

G

K

A

A

K

K

L

T

I

I

V

V

M

W

R

N

G

G

P

P

M

P

G

G

V

V

M

F

E

E

D

F

E

E

R

K

F

F

R

A

A

A

G

G

T

T

E

K

E

A

L

L

V

L

E

D

Y

E

A

V

L

V

K

K

S

S

-

S

-

A

G

G

A

N

Y

T

V

V

I

I

F

I

G

G

H

D

L

T

A

A

S

T

V

V

A

A

R

K

V

Y

I

-

R

-

S

-

E

-

G

G

I

V

P

T

A

D

A

K

R

I

Y

S

H

H

I

V

S

S

S

T

G

G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

V

E

A

A

F

L

L

R22 (= R29) mutation to K: 2-fold reduction of Vmax.; mutation to M: 7-fold reduction of Vmax.
R39 (= R48) binding substrate
R122 (= R128) binding substrate
R169 (= R168) binding substrate

1qpgA 3-phosphoglycerate kinase, mutation r65q (see paper)
36% identity, 95% coverage: 11:413/423 of query aligns to 8:411/415 of 1qpgA

query
sites
1qpgA

I

V

E

Q

D

D

L

L

E

D

N

-

H

-

L

-

G

-

L

L

K

K

G

D

K

K

K

R

L

V

L

F

V

I

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

L

N

D

P

G

Q

K

T

-

G

-

E

K

I

I

I

T

D

S

Y

N

S

Q

R
|
R

I

I

E

V

A

A

H

A

V

L

P

P

T

T

L

I

R

K

E

Y

L

V

L

L

E

E

R

H

G

H

A

P

A

R

L

Y

V

V

I

L

-

A

S

S

H

H

Q

L

G

G

K

Q

P

P

G

N

S

G

-

E

-

R

S

N

D

E

F

K

I

Y

T

S

L

L

E

A

Q

P

H

V

A

A

S

K

I

E

L

L

S

Q

K

S

L

L

G

G

V

K

D

D

V

V

A

T

F

F

V

L

D

N

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

A

A

A

I

V

K

K

K

A

L

S

E

A

P

P

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

Y

L

H

S

I

E

E

-

E

-

G

-

S

-

R

-

K

-

V

-

D

-

G

-

Q

V

K

I

V

E

K

A

A

P

S

P

K

E

E

K

D

H

V

A

Q

K

K

T

-

I

-

F

F

V

R

K

H

R

E

L

L

A

S

P

S

L

L

F

A

D

D

G

V

Y

Y

I

I

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

F

P

D

M

-

L

-

L

L

P

P

S

Q

-

R

A

A

G

G

R

F

L

L

V

L

Q

E

R

K

E

E

M

L

D

K

A

Y

L

F

S

G

K

K

I

A

F

L

N

E

P

N

S

P

V

T

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G

A

K
|
K

V

V

T

A

D

D

S

K

V

I

K

Q

I

L

V

I

E

D

A

N

L

L

E

D

R

-

K

K

V

V

A

D

D

S

Y

I

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

K

H

V

A

L

K

E

G

N

V

T

D

E

I

I

G

G

E

D

K

-

N

-

V

-

E

S

V

I

L

F

K

D

S

K

A

A

G

G

V

A

N

E

E

-

L

-

V

I

I

V

E

P

K

K

A

L

R

M

R

E

L

K

I

A

E

K

A

A

H

K

K

G

D

V

V

E

I

V

V

V

T

L

P

P

V

V

D

D

F

F

K

I

V

I

-

A

-

D

-

A

-

F

E

S

I

A

D

D

G

A

E

N

V

T

E

K

T

T

V

V

N

T

V

D

G

K

E

E

P

G

I

I

R

P

G

A

Y

G

I

W

R

Q

-

G

-

L

D

D

I

N

G

G

P

P

E

E

T

S

V

R

K

K

L

L

Y

F

Q

A

E

A

R

T

M

V

E

A

G

K

A

A

K

K

L

T

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

P

G
|
G

V
|
V

M
x
F

E
|
E

D

F

E

E

R

K

F

F

R

A

A

A

G

G

T

T

E

K

E

A

L

L

V

L

E

D

Y

E

A

V

L

V

K

K

S

S

-

S

-

A

G

G

A

N

Y

T

V

V

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

V

A

A

R

K

V

Y

I

-

R

-

S

-

E

-

G

G

I

V

P

T

A

D

A

K

R

I

Y

S

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

V

E

A

A

F

L

L

active site: R38 (= R48), K213 (= K214), G371 (= G369), G394 (= G396)
binding magnesium-5'-adenyly-imido-triphosphate: G235 (= G237), G236 (= G238), N334 (≠ R335), P336 (= P337), G338 (= G339), V339 (= V340), F340 (≠ M341), E341 (= E342), G370 (= G368), G371 (= G369), D372 (≠ H370), T373 (≠ L371)

4axxA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp 3-phosphoglycerate and beryllium trifluoride
34% identity, 93% coverage: 21:413/423 of query aligns to 12:404/407 of 4axxA

query
sites
4axxA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

V

E

I

G

E

K

A

A

P

K

P

A

E

E

K

P

H

A

A

K

K

I

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K206 (= K214), G364 (= G369), G387 (= G396)
binding adenosine-5'-diphosphate: G204 (= G212), A205 (≠ G213), K210 (≠ S218), G228 (= G237), G229 (= G238), N327 (≠ R335), P329 (= P337), G331 (= G339), V332 (= V340), E334 (= E342), G363 (= G368), G364 (= G369), D365 (≠ H370), T366 (≠ L371)
binding beryllium trifluoride ion: K206 (= K214), K210 (≠ S218), G363 (= G368)

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, 93% coverage: 21:413/423 of query aligns to 12:402/405 of 2wzdA

query
sites
2wzdA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

V

E

I

G

E

K

A

G

P

E

P

P

E

A

K

K

H

I

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S

A

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K204 (= K214), G362 (= G369), G385 (= G396)
binding adenosine-5'-diphosphate: G202 (= G212), A203 (≠ G213), K204 (= K214), G226 (= G237), G227 (= G238), N325 (≠ R335), P327 (= P337), G329 (= G339), V330 (= V340), E332 (= E342), G361 (= G368), D363 (≠ H370), T364 (≠ L371)
binding aluminum fluoride: R37 (= R48), K204 (= K214), G361 (= G368), G362 (= G369), G384 (= G395)

6yjeA Plasmoodium vivax phosphoglycerate kinase bound to nitrofuran inhibitor from peg3350 and ammonium acetate at ph 5.5
36% identity, 93% coverage: 21:413/423 of query aligns to 14:413/416 of 6yjeA

query
sites
6yjeA

L

I

K

Q

G

G

K

K

L

V

L

L

V

V

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

I

N

-

P

-

Q

E

T

N

G

G

E

V

I

I

I

K

D

D

Y

T

S

N

R
|
R

I

I

E

T

A

A

H

T

V

L

P

P

T

T

L

I

R

H

E

H

L

L

L

K

E

K

R

E

G

G

A

A

-

K

L

I

V

I

V

L

I

I

S

S

H

H

Q

C

G

G

K

R

P

P

G

D

S

G

S

T

D

K

F

N

I

L

-

K

-

Y

T

T

L

L

E

K

Q

P

H

V

A

A

S

E

I

T

L

L

S

G

K

T

L

L

G

G

V

E

D

E

V

V

A

L

F

F

V

L

D

S

D

D

V

C

I

V

G

G

P

E

A

E

A

V

R

A

E

A

A

Q

I

I

K

N

K

Q

L

A

E

K

P

D

G

N

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

V

-

D

-

A

-

G

-

N

V

K

I

I

E

K

A

A

P

S

P

K

E

E

K

D

H

M

A

E

K

K

T

-

I

-

F

F

V

Q

K

N

R

E

L

L

A

T

P

K

L

L

F

G

D

D

G

V

Y

F

I

I

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

I

P

K

M

M

L

N

L

V

P

-

S

K

A

A

A

S

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

E

A

Y

L

F

S

S

K

K

I

A

F

L

N

E

P

N

S

P

V

Q

A

R

P

P

K

L

V

L

F

A

V

I

L

L

G

G

G

A

K
|
K

V

V

T

S

D

D

S

K

V

I

K

Q

I

L

V

I

E

K

A

N

L

L

E

D

R

-

K

K

V

V

A

D

D

K

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A
x
Y

T

T

L

F

L

K

L

Y

H

V

A

L

K

N

G

N

V

M

D

K

I

I

G

G

E

D

K

S

N
x
L

V

F

E

D

V

E

L

A

K

G

S

S

A

K

G

I

V

V

N

N

E

E

L

-

V

I

I

M

E

E

K

K

A

A

R

K

R

-

L

-

I

-

E

-

A

A

H

K

K

N

D

V

V

E

I

I

V

Y

T

L

P

P

V

V

D

D

F

F

K

K

V

V

-

A

-

D

E

K

I
x
F

D

D

G

N

E

N

V

A

E

N

T

T

V

K

N

V

V

V

-

T

-

D

-

E

G

G

E

I

P

E

I

D

R

K

G

W

Y
x
M

I
x
G

R
x
L

D

D

I

A

G

G

P

P

E

K

T

S

V

I

K

E

L

N

Y

Y

Q

K

E

D

R

V

M

I

E

L

G

S

A

S

K

K

L

T

I

I

V

I

M

W

R

N

G

G

P

P

M

Q

G
|
G

V
|
V

M

F

E

E

D

M

E

P

R

N

F

F

R

A

A

K

G

G

T

S

E

I

E

E

-

C

-

L

-

N

L

L

V

V

E

I

Y

E

A

A

L

T

K

K

S

K

G

G

A

A

Y

I

V

S

I

I

F

V

G

G

G
|
G

H

D

L

T

A

A

S

S

V

L

A

V

R

E

R

Q

V

Q

I

Q

R

K

S

K

E

N

G

E

I

I

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

V

E

V

A

A

L

L

active site: R39 (= R48), K215 (= K214), G373 (= G369), G396 (= G396)
binding (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one: G237 (= G237), G238 (= G238), Y241 (≠ A241), L256 (≠ N256), F291 (≠ I294), M311 (≠ Y310), G312 (≠ I311), L313 (≠ R312), G340 (= G339), V341 (= V340)

2wzcA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp, 3pg and aluminium tetrafluoride (see paper)
34% identity, 93% coverage: 21:413/423 of query aligns to 12:402/405 of 2wzcA

query
sites
2wzcA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

V

E

I

G

E

K

A

G

P

E

P

P

E

A

K

K

H

I

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K204 (= K214), G362 (= G369), G385 (= G396)
binding adenosine-5'-diphosphate: G202 (= G212), A203 (≠ G213), K204 (= K214), K208 (≠ S218), G226 (= G237), G227 (= G238), N325 (≠ R335), P327 (= P337), G329 (= G339), V330 (= V340), E332 (= E342), G361 (= G368), D363 (≠ H370), T364 (≠ L371)
binding tetrafluoroaluminate ion: R37 (= R48), K204 (= K214), K208 (≠ S218), G361 (= G368), G362 (= G369), G384 (= G395)

2wzbA The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp, 3pg and magnesium trifluoride (see paper)
34% identity, 93% coverage: 21:413/423 of query aligns to 12:402/405 of 2wzbA

query
sites
2wzbA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

V

E

I

G

E

K

A

G

P

E

P

P

E

A

K

K

H

I

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K204 (= K214), G362 (= G369), G385 (= G396)
binding adenosine-5'-diphosphate: G202 (= G212), A203 (≠ G213), K204 (= K214), K208 (≠ S218), G226 (= G237), G227 (= G238), N325 (≠ R335), P327 (= P337), G329 (= G339), V330 (= V340), E332 (= E342), G361 (= G368), D363 (≠ H370), T364 (≠ L371)
binding trifluoromagnesate: K204 (= K214), K208 (≠ S218), G361 (= G368), G384 (= G395), G385 (= G396)

P40924 Phosphoglycerate kinase; EC 2.7.2.3 from Bacillus subtilis (strain 168) (see paper)
34% identity, 93% coverage: 21:414/423 of query aligns to 11:392/394 of P40924

query
sites
P40924

L

V

K

K

G

G

K

K

K

V

L

V

L

F

V

C

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

D

G

G

E

E

I

V

I

T

D

D

Y

D

S

T

R

R

I

I

E

R

A

A

H

A

V

L

P

P

T

T

L

I

R

K

E

H

L

L

L

A

E

D

R

Q

G

G

A

A

A

K

L

V

V

L

I

A

S

S

H

H

Q

L

G

G

K

R

P

P

G

K

S

G

S

E

-

V

D

E

F

E

I

L

T

R

L

L

E

T

Q

P

H

V

A

A

S

A

I

R

L

L

S

G

K

E

L

L

G

G

V

K

D

E

V

V

A

K

F

K

V

A

D

D

D

E

V

A

I

Y

G

G

P

D

A

A

A

V

R

K

E

A

A

Q

I

I

K

S

K

E

L

M

E

K

P

D

G

G

S

D

I

V

L

L

M

V

L

L

D

E

N

N

T

V

R

R

L

F

L

Y

S

-

E

-

V

-

I

-

E

-

A

-

P

P

P

G

E

E

K

E

H

K

A

N

K

D

T

P

I

E

F

L

V

A

K

K

R

A

L

F

A

A

P

E

L

L

F

A

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

A

I

A

H

H

R

R

S

A

Q

H

P

A

S

S

I

T

V

A

G

G

F

I

P

A

M

E

L

H

L

L

P

P

S

A

A

V

A

A

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

L

D

D

A

V

L

L

S

G

K

K

I

A

F

V

N
x
S

P

N

S

P

V

D

A

R

P

P

K

F

V

T

F

A

V

I

L

I

G

G

G

A

K

K

V

V

T

K

D

D

S

K

V

I

K

G

I

V

V

I

E

E

A

S

L

L

E

D

R

K

K

-

V

-

A

V

D

D

Y

N

I

L

L

I

T

I

G

G

L

G

L

L

A

A

T

Y

L

T

L

F

L

V

H

K

A

A

K

L

G

G

V

Y

D

E

I

V

G

G

E

K

K

S

N

L

V

L

E

E

V

-

L

-

K

-

S

-

A

-

G

-

V

-

N

-

E

E

L

D

V

K

I

I

E

E

K

L

A

A

R

K

R

S

L

F

I

M

E

D

A

R

H

A

K

K

-

E

-

K

-

G

-

V

-

N

-

F

-

Y

-

M

-

P

-

E

D

D

V

V

I

L

V

V

T

A

P

D

V

-

D

D

F

F

K

S

V

N

E

-

I

-

D

D

G

A

E

N

V

V

E

K

T

I

V

V

N

P

V

I

G

S

E

E

-

I

P

P

I

S

R

D

G

L

Y

E

I

A

R

I

D

D

I

I

G

G

P

T

E

K

T
|
T

V

R

K

E

L

T

Y

Y

Q

A

E

D

R

V

M

I

E

K

G

N

A

S

K

K

L

L

I

V

V

V

M

W

R

N

G

G

P

P

M

M

G

G

V

V

M

F

E

E

D

I

E

D

R

L

F

F

R

A

A

Q

G

G

T

T

E

K

E

A

L

V

V

A

E

E

-

A

Y

L

A

A

L

E

K

A

S

K

G

D

A

T

Y

Y

V

S

I

V

F

I

G

G

H

D

L

S

A

A

S

A

V

A

A

V

R

E

R

K

V

F

I

-

R

-

S

-

E

-

G

G

I

L

P

A

A

D

A

K

R

M

Y

S

H

H

I

I

S

S

S

T

G

G

A

A

L

S

L

L

L

E

Y

F

L

M

S

E

G

G

K

K

P

E

L

L

P

P

G

G

I

V

E

A

A

A

L

L

K

N

S183 (≠ N200) modified: Phosphoserine
T299 (= T318) modified: Phosphothreonine

2x15A The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with adp and 1,3- bisphosphoglycerate
34% identity, 93% coverage: 21:413/423 of query aligns to 12:405/408 of 2x15A

query
sites
2x15A

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D
|
D

F

F

N
|
N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H
|
H

Q

L

G

G

K
x
R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R
|
R

L

F

L

H

S

V

E

E

V

E

I

G

E

K

A

G

P

K

E

A

K

E

H

P

A

A

K

K

T

I

-

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R
|
R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P
|
P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K207 (= K214), G365 (= G369), G388 (= G396)
binding adenosine-5'-diphosphate: G205 (= G212), A206 (≠ G213), K207 (= K214), K211 (≠ S218), G229 (= G237), G230 (= G238), N328 (≠ R335), P330 (= P337), G332 (= G339), V333 (= V340), E335 (= E342), G364 (= G368), G365 (= G369), D366 (≠ H370), T367 (≠ L371)
binding adenosine-5'-triphosphate: G205 (= G212), A206 (≠ G213), K207 (= K214), K211 (≠ S218), G229 (= G237), G230 (= G238), N328 (≠ R335), G332 (= G339), V333 (= V340), E335 (= E342), G364 (= G368), G365 (= G369), D366 (≠ H370), T367 (≠ L371), G387 (= G395), G388 (= G396)
binding 1,3-bisphosphoglyceric acid: D22 (= D31), N24 (= N33), R37 (= R48), H61 (= H71), R64 (≠ K74), R121 (= R128), R162 (= R168), K207 (= K214), K211 (≠ S218), G364 (= G368), G387 (= G395), G388 (= G396)

1phpA Structure of the adp complex of the 3-phosphoglycerate kinase from bacillus stearothermophilus at 1.65 angstroms (see paper)
34% identity, 93% coverage: 21:414/423 of query aligns to 11:392/394 of 1phpA

query
sites
1phpA

L

V

K

R

G

G

K

K

K

R

L

V

L

F

V

C

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

E

T

Q

G

G

E

A

I

I

I

T

D

D

Y

D

S

T

R
|
R

I

I

E

R

A

A

H

A

V

L

P

P

T

T

L

I

R

R

E

Y

L

L

L

I

E

E

R

H

G

G

A

A

A

K

L

V

V

I

V

L

I

A

S

S

H

H

Q

L

G

G

K

R

P

P

G

K

S

G

S

K

-

V

D

E

F

E

I

L

T

R

L

L

E

D

Q

A

H

V

A

A

S

K

I

R

L

L

S

G

K

E

L

L

G

E

V

R

D

P

V

V

A

A

F

K

V

T

D

N

D

E

V

A

I

V

G

G

P

D

A

E

A

V

R

K

E

A

A

A

I

V

K

D

K

R

L

L

E

N

P

E

G

G

S

D

I

V

L

L

M

L

L

L

D

E

N

N

T

V

R

R

L

F

L

Y

S

-

E

-

V

-

I

-

E

-

A

-

P

P

P

G

E

E

K

E

H

K

A

N

K

D

T

P

I

E

F

L

V

A

K

K

R

A

L

F

A

A

P

E

L

L

F

A

D

D

G

L

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

A

I

A

H

H

R

R

S

A

Q

H

P

A

S

S

I

T

V

E

G

G

F

I

P

A

M

H

L

Y

L

L

P

P

S

A

A

V

A

A

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

L

D

E

A

V

L

L

S

G

K

K

I

A

F

L

N

S

P

N

S

P

V

D

A

R

P

P

K

F

V

T

F

A

V

I

L

I

G

G

G
|
G

G

A

K
|
K

V

V

T

K

D

D

S
x
K

V

I

K

G

I

V

V

I

E

D

A

N

L

L

E

E

R

K

K

-

V

-

A

V

D

D

Y

N

I

L

L

I

T

I

G

G

G
|
G

L
x
G

L

L

A

A

T

Y

L

T

L

F

L

V

H

K

A

A

K

L

G

G

V

H

D

D

I

V

G

G

E

K

K

S

N
x
L

V

L

E

E

V

-

L

-

K

-

S

-

A

-

G

-

V

-

N

-

E

E

L

D

V

K

I

I

E

E

K

L

A

A

R

K

R

S

L

F

I

M

E

E

A

K

H

A

K

K

D

E

V

K

I

G

V

V

-

R

-

F

-

Y

T

M

P

P

V

V

D

D

F

V

-

V

-

A

-

D

K

R

V

F

E

A

I

N

D

D

G

A

E

N

V

T

E

K

T

V

V

V

N

P

V

I

G

D

E

A

-

I

P

P

I

A

R

D

G

W

Y

S

I

A

R

L

D

D

I

I

G

G

P

P

E

K

T

T

V

R

K

E

L

L

Y

Y

Q

R

E

D

R

V

M

I

E

R

G

E

A

S

K

K

L

L

I

V

V

V

M

W

R
x
N

G

G

P
|
P

M

M

G
|
G

V
|
V

M

F

E
|
E

D

M

E

D

R

A

F

F

R

A

A

H

G

G

T

T

E

K

-

A

E

I

L

A

V

E

E

A

Y

L

A

A

L

E

K

A

S

L

G

D

A

T

Y

Y

V

S

I

V

F

I

G

G

G
|
G

H
x
D

L
x
S

A

A

S

A

V

A

A

V

R

E

R

K

V

F

I

-

R

-

S

-

E

-

G

G

I

L

P

A

A

D

A

K

R

M

Y

D

H

H

I

I

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

F

L

M

S

E

G

G

K

K

P

Q

L

L

P

P

G

G

I

V

E

V

A

A

L

L

K

E

active site: R36 (= R48), K197 (= K214), G351 (= G369), G374 (= G396)
binding adenosine-5'-diphosphate: G195 (= G212), K201 (≠ S218), G219 (= G238), G220 (≠ L239), L237 (≠ N256), N316 (≠ R335), P318 (= P337), G320 (= G339), V321 (= V340), E323 (= E342), G350 (= G368), D352 (≠ H370), S353 (≠ L371)

P18912 Phosphoglycerate kinase; EC 2.7.2.3 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
34% identity, 93% coverage: 21:414/423 of query aligns to 11:392/394 of P18912

query
sites
P18912

L

V

K

R

G

G

K

K

K

R

L

V

L

F

V

C

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

E

T

Q

G

G

E

A

I

I

I

T

D

D

Y

D

S

T

R

R

I

I

E

R

A

A

H

A

V

L

P

P

T

T

L

I

R

R

E

Y

L

L

L

I

E

E

R

H

G

G

A

A

A

K

L

V

V

I

V

L

I

A

S

S

H

H

Q

L

G

G

K

R

P

P

G

K

S

G

S

K

-

V

D

E

F

E

I

L

T

R

L

L

E

D

Q

A

H

V

A

A

S

K

I

R

L

L

S

G

K

E

L

L

G

E

V

R

D

P

V

V

A

A

F

K

V

T

D

N

D

E

V

A

I

V

G

G

P

D

A

E

A

V

R

K

E

A

A

A

I

V

K

D

K

R

L

L

E

N

P

E

G

G

S

D

I

V

L

L

M

L

L

L

D

E

N

N

T

V

R

R

L

F

L

Y

S

-

E

-

V

-

I

-

E

-

A

-

P

P

P

G

E

E

K

E

H

K

A

N

K

D

T

P

I

E

F

L

V

A

K

K

R

A

L

F

A

A

P

E

L

L

F

A

D

D

G

L

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

A

I

A

H

H

R

R

S

A

Q

H

P

A

S

S

I

T

V

E

G

G

F

I

P

A

M

H

L

Y

L

L

P

P

S

A

A

V

A

A

G

G

R

F

L

L

V

M

Q

E

R

K

E

E

M

L

D

E

A

V

L

L

S

G

K

K

I

A

F

L

N

S

P

N

S

P

V

D

A

R

P

P

K

F

V

T

F

A

V

I

L

I

G

G

G

A

K

K

V

V

T

K

D

D

S
x
K

V

I

K

G

I

V

V

I

E

D

A

N

L

L

E

E

R

K

K

-

V

-

A

V

D

D

Y

N

I

L

L

I

T

I

G

G

L

G

L

L

A

A

T

Y

L

T

L

F

L

V

H

K

A

A

K

L

G

G

V

H

D

D

I

V

G

G

E

K

K

S

N

L

V

L

E

E

V

-

L

-

K

-

S

-

A

-

G

-

V

-

N

-

E

E

L

D

V

K

I

I

E

E

K

L

A

A

R

K

R

S

L

F

I

M

E

E

A

K

H

A

K

K

D

E

V

K

I

G

V

V

-

R

-

F

-

Y

T

M

P

P

V

V

D

D

F

V

-

V

-

A

-

D

K

R

V

F

E

A

I

N

D

D

G

A

E

N

V

T

E

K

T

V

V

V

N

P

V

I

G

D

E

A

-

I

P

P

I

A

R

D

G

W

Y

S

I

A

R

L

D

D

I

I

G

G

P

P

E

K

T

T

V

R

K

E

L

L

Y

Y

Q

R

E

D

R

V

M

I

E

R

G

E

A

S

K

K

L

L

I

V

V

V

M

W

R
x
N

G

G

P

P

M

M

G

G

V

V

M

F

E
|
E

D

M

E

D

R

A

F

F

R

A

A

H

G

G

T

T

E

K

-

A

E

I

L

A

V

E

E

A

Y

L

A

A

L

E

K

A

S

L

G

D

A

T

Y

Y

V

S

I

V

F

I

G

G

G
|
G

H
x
D

L
x
S

A

A

S

A

V

A

A

V

R

E

R

K

V

F

I

-

R

-

S

-

E

-

G

G

I

L

P

A

A

D

A

K

R

M

Y

D

H

H

I

I

S

S

S

T

G

G

A

A

L

S

L

L

L

E

Y

F

L

M

S

E

G

G

K

K

P

Q

L

L

P

P

G

G

I

V

E

V

A

A

L

L

K

E

K201 (≠ S218) binding ATP
N316 (≠ R335) binding ATP
E323 (= E342) binding ATP
GGDS 350:353 (≠ GGHL 368:371) binding ATP

1vjcA Structure of pig muscle pgk complexed with mgatp (see paper)
34% identity, 93% coverage: 21:413/423 of query aligns to 13:413/416 of 1vjcA

query
sites
1vjcA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

I

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

I

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

D

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

-

S

-

G

-

S

V

K

I

V

E

K

A

A

P

D

P

P

E

A

K

K

H

I

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

K

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G

A

K
|
K

V

V

T

A

D

D

S
x
K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

S

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

-

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

S

E

E

R

A

M

V

E

A

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R

N

G

G

P

P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

Q

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L

T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R38 (= R48), K215 (= K214), G373 (= G369), G396 (= G396)
binding adenosine-5'-triphosphate: G213 (= G212), K219 (≠ S218), G238 (= G238), G340 (= G339), V341 (= V340), E343 (= E342), D374 (≠ H370)

1kf0A Crystal structure of pig muscle phosphoglycerate kinase ternary complex with amp-pcp and 3pg (see paper)
35% identity, 93% coverage: 21:413/423 of query aligns to 13:413/416 of 1kf0A

query
sites
1kf0A

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

D

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

S

S

-

P

-

M

-

P

D

D

F

K

I

Y

T

S

L

L

E

Q

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

D

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

-

S

-

G

-

N

V

K

I

V

E

K

A

A

P

E

P

P

E

A

K

K

H

-

A

I

K

K

T

T

I

-

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

K

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S

K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G
|
G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

N

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E

F

V

D

E

E

-

H

-

A

-

K

-

T

-

G

-

Q

-

A

T

T

V

V

N

A

V

S

G

G

E

I

P

P

I

A

R

G

G

W

Y

M

I

G

R

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

S

E

E

R

A

M

V

E

A

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R

N

G

G

P

P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

Q

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H

D

L

T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R38 (= R48), K215 (= K214), G373 (= G369), G396 (= G396)
binding phosphomethylphosphonic acid adenylate ester: G213 (= G212), A214 (≠ G213), G237 (= G237), G238 (= G238), G340 (= G339), V341 (= V340), E343 (= E342)

2y3iA The structure of the fully closed conformation of human pgk in complex with l-adp, 3pg and the tsa aluminium tetrafluoride (see paper)
34% identity, 93% coverage: 21:413/423 of query aligns to 12:412/414 of 2y3iA

query
sites
2y3iA

L

V

K

K

G

G

K

K

K

R

L

V

V

M

R

R

V

V

D

D

F

F

N

N

S

V

P

P

V

M

N

-

P

-

Q

K

T

N

G

N

E

Q

I

I

I

T

D

N

Y

N

S

Q

R
|
R

I

I

E

K

A

A

H

A

V

V

P

P

T

S

L

I

R

K

E

F

L

C

L

L

E

D

R

N

G

G

A

A

-

K

A

S

L

V

V

V

V

L

I

M

S

S

H

H

Q

L

G

G

K

R

P

P

G

D

S

G

-

V

-

P

-

M

S

P

D

D

F

K

I

Y

T

S

L

L

E

E

Q

P

H

V

A

A

S

V

I

E

L

L

S

K

K

S

L

L

G

G

V

K

D

D

V

V

A

L

F

F

V

L

D

K

D

D

V

C

I

V

G

G

P

P

A

E

A

V

R

E

E

K

A

A

I

C

K

A

K

N

L

P

E

A

P

A

G

G

S

S

I

V

L

I

M

L

L

L

D

E

N

N

T

L

R

R

L

F

L

H

S

V

E

E

-

E

-

G

-

K

-

G

-

K

-

D

-

A

-

S

-

G

-

N

V

K

I

V

E

K

A

A

P

E

P

P

E

A

K

K

H

I

A

-

K

-

T

E

I

A

F

F

V

R

K

A

R

S

L

L

A

S

P

K

L

L

F

G

D

D

G

V

Y

Y

I

V

N

N

D

D

A

A

F

F

A

G

A

T

I

A

H

H

R

R

S

A

Q

H

P

S

S

S

I

M

V

V

G

G

F

V

P

N

M

-

L

L

L

P

P

Q

S

K

A

A

A

G

G

G

R

F

L

L

V

M

Q

K

R

K

E

E

M

L

D

N

A

Y

L

F

S

A

K

K

I

A

F

L

N

E

P

S

S

P

V

E

A

R

P

P

K

F

V

L

F

A

V

I

L

L

G

G

G
|
G

G
x
A

K
|
K

V

V

T

A

D

D

S

K

V

I

K

Q

I

L

V

I

E

N

A

N

L

M

L

L

E

D

R

-

K

K

V

V

A

N

D

E

Y

M

I

I

L

I

T

G

G

G

L

M

L

A

A

F

T

T

L

F

L

L

L

K

H

V

A

L

K

N

G

N

V

M

D

E

I

I

G

G

E

T

K

S

N

L

V

F

E

D

V

E

L

E

K

G

S

A

A

K

G

I

V

V

N

K

E

D

L

L

V

M

I

S

E

K

K

A

A

E

R

K

R

N

L

G

I

V

E

K

A

-

H

-

K

-

D

-

V

-

I

I

V

T

T

L

P

P

V

V

D

D

F

F

K

-

V

V

E

T

I

A

D

D

G

K

E
x
F

V

D

E

E

T

N

V

A

N

K

V

T

G

G

E

Q

P

A

I

T

-

V

-

A

-

S

-

G

-

I

-

P

R

A

G

G

Y

W

I

M

R

G

-

L

D

D

I

C

G

G

P

P

E

E

T

S

V

S

K

K

L

K

Y

Y

Q

A

E

E

R

A

M

V

E

T

G

R

A

A

K

K

L

Q

I

I

V

V

M

W

R
x
N

G

G

P

P

M

V

G
|
G

V
|
V

M

F

E
|
E

D

W

E

E

R

A

F

F

R

A

A

R

G

G

T

T

E

K

E

A

L

L

V

M

E

D

Y

E

A

V

L

V

K

K

S

A

-

T

-

S

-

R

G

G

A

C

Y

I

V

T

I

I

F

I

G

G

G
|
G

H
x
D

L
x
T

A

A

S

T

V

C

A

C

R

A

R

K

V

W

I

N

R

T

S

E

E

D

G

K

I

V

P

S

A

-

R

-

Y

-

H

H

I

V

S

S

S

T

G

G

G
|
G

A

A

L

S

L

L

L

E

Y

L

L

L

S

E

G

G

K

K

P

V

L

L

P

P

G

G

I

V

E

D

A

A

L

L

active site: R37 (= R48), K214 (= K214), G372 (= G369), G395 (= G396)
binding tetrafluoroaluminate ion: K214 (= K214), G371 (= G368), G372 (= G369), G394 (= G395)
binding l-adenosine-5'-diphosphate: G212 (= G212), A213 (≠ G213), F290 (≠ E297), N335 (≠ R335), G339 (= G339), V340 (= V340), E342 (= E342), G371 (= G368), G372 (= G369), D373 (≠ H370), T374 (≠ L371)

Query Sequence

>WP_014026822.1 NCBI__GCF_000223395.1:WP_014026822.1
MGSGAARLPLIEDLENHLGGLKGKKLLVRVDFNSPVNPQTGEIIDYSRIEAHVPTLRELL
ERGAALVVISHQGKPGSSDFITLEQHASILSKLLGVDVAFVDDVIGPAAREAIKKLEPGS
ILMLDNTRLLSEEVIEAPPEKHAKTIFVKRLAPLFDGYINDAFAAIHRSQPSIVGFPMLL
PSAAGRLVQREMDALSKIFNPSVAPKVFVLGGGKVTDSVKIVEALLERKVADYILTGGLL
ATLLLHAKGVDIGEKNVEVLKSAGVNELVIEKARRLIEAHKDVIVTPVDFKVEIDGEVET
VNVGEPIRGYIRDIGPETVKLYQERMEGAKLIVMRGPMGVMEDERFRAGTEELVEYALKS
GAYVIFGGGHLASVARRVIRSEGIPAARYHISSGGGALLLYLSGKPLPGIEALKLSAAKF
YGW

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