SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011915090.1 NCBI__GCF_000013785.1:WP_011915090.1 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)

Q9X0C6 Imidazole glycerol phosphate synthase subunit HisF; IGP synthase cyclase subunit; IGP synthase subunit HisF; ImGP synthase subunit HisF; IGPS subunit HisF; EC 4.3.2.10 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
53% identity, 99% coverage: 3:256/256 of query aligns to 2:249/253 of Q9X0C6

query
sites
Q9X0C6

L

L

A

A

K

K

R

R

I

I

P

A

C
|
C

L

L

D
|
D

V

V

D

K

N

D

G

G

R

R

V

V

K
|
K

G

G

V

T

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L

L

D
|
D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N
|
N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
|
D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D
|
D

G

G

V

T

K

K

S

S

G

G

Y

Y

D
|
D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S

S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

C9 (= C10) mutation to A: No change in activity.
D11 (= D12) mutation to X: Loss of activity.
K19 (= K20) mutation to S: Decrease in activity.
D51 (= D52) mutation to N: No change in activity.
N103 (= N104) mutation to A: No change in activity.
D130 (= D131) mutation D->A,C,F,G,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y: Complete loss of activity.; mutation to E: Weak activity.
D176 (= D182) mutation to N: Decrease in activity.
D183 (= D189) mutation to N: No change in activity.

7ac8A Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. (see paper)
53% identity, 99% coverage: 3:256/256 of query aligns to 2:249/252 of 7ac8A

query
sites
7ac8A

L

L

A

A

K

K

R

R

I

I

P

A

C

C

L

L

D
|
D

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

T

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L
|
L

D

D

I
|
I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

G
|
G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N
|
N

T
|
T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
|
D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G
x
S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D
|
D

G
|
G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S
|
S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S
|
S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

active site: D11 (= D12), D130 (= D131)
binding [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate: L50 (= L51), I52 (= I53), G82 (= G83), N103 (= N104), T104 (= T105), D130 (= D131), S144 (≠ G150), D176 (= D182), G177 (= G183), S201 (= S207), S225 (= S232)

1h5yB Hisf protein from pyrobaculum aerophilum (see paper)
55% identity, 99% coverage: 3:256/256 of query aligns to 3:252/253 of 1h5yB

query
sites
1h5yB

L

M

A

A

K

L

R

R

I

I

P

P

C

C

L

L

D
|
D

V

I

D

D

N

G

G

G

R

A

-

K

-

V

V

V

K
|
K

G

G

V

V

Q

N

F

F

E

Q

N

G

I

I

R

R

D

E

A

V

G

G

D

D

P

P

V

V

E

E

I

M

A

A

R

V

R

R

Y

Y

D

E

E

E

Q

E

G

G

A

A

D

D

E

E

I

I

T

A

F

I

L

L

D

D

I

I

T

T

A

A

S

A

V

P

D

E

N

G

R

R

D

A

T

T

T

F

L

I

H

D

T

S

V

V

E

K

R

R

M

V

A

A

S

E

Q

A

V

V

F

S

I

I

P

P

L

V

T

L

V

V

G

G

G
|
G

V

V

R

R

T

S

V

L

Q

E

D

D

I

A

R

T

N

T

L

L

L

F

N

R

A

A

G

G

A

A

D

D

K

K

V

V

S

S

I

V

N
|
N

T
|
T

A

A

V

V

F

R

N

N

P

P

D

Q

F

L

V

V

G

A

E

L

A

L

A

A

D

R

R

E

F

F

G

G

S

S

Q

Q

C

S

I

T

V

V

A
|
A

I

I

D
|
D

A

A

K

K

K

-

V

-

S

-

A

W

P

N

G

G

E

E

P

-

G

-

R

Y

W

Y

E

E

I

V

F

Y

T

V

H

K

G
|
G

G

G

R

R

K

E

P

A

T

T

G

G

L

L

D

D

A

A

V

V

E

K

W

W

A

A

K

K

K

E

M

V

E

E

A

E

L

L

G

G

A

A

G

G

E

E

I

I

L

L

T
|
T

S

S

M

I

D

D

Q

R

D
|
D

G
|
G

V

T

K

G

S

L

G

G

Y

Y

D

D

L

V

G

E

V

L

T

I

R

R

A

R

I

V

S

A

E

D

A

S

L

V

C

R

I

I

P

P

V

V

I

I

A

A

S

S

G

G

V

A

G

G

N

R

L

V

Q

E

H

H

L

F

A

Y

D

E

G

-

I

A

L

A

E

A

G

A

K

G

A

A

D

D

A

A

V

V

L

L

A
|
A

S
|
S

I

L

F

F

H

H

F

F

G

R

E

V

Y

L

T

S

V

I

P

A

E

Q

A

V

K

K

A

R

Y

Y

L

L

A

K

A

E

R

R

G

G

I

V

V

E

M

V

R

R

active site: D12 (= D12), D133 (= D131)
binding glycerol: K22 (= K20), N106 (= N104), A131 (= A129), D133 (= D131), G147 (= G150), T174 (= T177), D179 (= D182)
binding phosphate ion: G84 (= G82), G85 (= G83), N106 (= N104), T107 (= T105), D179 (= D182), G180 (= G183), A226 (= A230), A227 (= A231), S228 (= S232)

1gpwC Structural evidence for ammonia tunneling across the (beta/alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex. (see paper)
52% identity, 99% coverage: 3:256/256 of query aligns to 2:249/253 of 1gpwC

query
sites
1gpwC

L

L

A

A

K

K

R

R

I

I

P

A

C

C

L

L

D
x
N

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

T

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L

L

D

D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

G
|
G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N
|
N

T
|
T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
|
D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D
|
D

G
|
G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S
|
S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

active site: N11 (≠ D12), D130 (= D131)
binding phosphate ion: G82 (= G83), N103 (= N104), T104 (= T105), D176 (= D182), G177 (= G183), S225 (= S232)

7qc8A Imidazole glycerol phosphate synthase subunit HisF (see paper)
51% identity, 100% coverage: 2:256/256 of query aligns to 1:249/250 of 7qc8A

query
sites
7qc8A

A

S

L

L

A

A

K

K

R

R

I

I

P

A

C

A

L

L

D
x
E

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

T

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

A

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L
x
H

D

D

I
x
H

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N

N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D

D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D

D

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S

S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

binding zinc ion: E11 (≠ D12), H50 (≠ L51), H52 (≠ I53)

5d2tA Directed evolutionary changes in kemp eliminase ke07 - crystal 3 wild type
48% identity, 99% coverage: 4:256/256 of query aligns to 1:247/251 of 5d2tA

query
sites
5d2tA

A

A

K

K

R

R

I

I

P

A

C

A

L

L

D

I

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

S

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

S

F

F

L
x
W

D

D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S
x
E

I

I

N

N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A
x
Y

I

I

D

A

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

V

L

L

T

G

S

S

M

I

D

D

Q

R

D

L

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

H

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

A

I

F

L

L

E

A

G

G

K

-

A

A

D

D

A

A

V

A

L
x
K

A

A

A

N

S

S

I

V

F

L

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

binding 5-nitro-2-oxidanyl-benzenecarbonitrile: W48 (≠ L51), E99 (≠ S102), Y126 (≠ A129), K220 (≠ L229)

4ewnD Structure of hisf-d130v+d176v with bound rcdrp (see paper)
50% identity, 99% coverage: 3:256/256 of query aligns to 1:242/243 of 4ewnD

query
sites
4ewnD

L

L

A

A

K

K

R

R

I

I

P

A

C

C

L

L

D

D

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

T

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L

L

D

D

I

I

T

T

A

K

S

-

V

-

D

-

N

-

R

-

D

-

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N

N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
x
V

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D

V

G
|
G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S
|
S

G
|
G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L
|
L

A
|
A

S
|
S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: V123 (≠ D131), G170 (= G183), S194 (= S207), G195 (= G208), G196 (= G209), L215 (= L229), A216 (= A230), A217 (= A231), S218 (= S232)

6dnjA Directed evolutionary changes in kemp eliminase ke07 - crystal 28 round 5 (see paper)
48% identity, 99% coverage: 3:256/256 of query aligns to 1:248/250 of 6dnjA

query
sites
6dnjA

L

L

A

A

K

K

R

R

I

I

I

D

P

A

C

A

L

L

D

I

V

M

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

S

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

S

F

F

L
x
W

D

D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G
|
G

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

E

I

I

N
|
N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A
x
Y

I

I

D

A

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

V

L

L

T

G

S

S

M

I

D

D

Q

R

D

L

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

H

G

R

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

A

I

F

L

L

E

A

G

G

K

-

A

A

D

D

A

A

V

A

L

K

A

A

A

D

S

S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

binding 5-nitro-1,2-benzoxazole: W49 (≠ L51), G79 (= G81), G80 (= G82), N102 (= N104), Y127 (≠ A129)

3zr4E Structural evidence for ammonia tunneling across the (beta-alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex (see paper)
50% identity, 99% coverage: 3:256/256 of query aligns to 2:240/244 of 3zr4E

query
sites
3zr4E

L

L

A

A

K

K

R

R

I

I

P

A

C

C

L

L

D
|
D

V

V

D

K

N

D

G

G

R

R

V

V

K

K

G

-

V

-

Q

-

F

-

E

-

N

-

I

-

R

-

D

-

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L

L

D

D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N

N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
|
D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D

D

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R
|
R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E
x
L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S

S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

active site: D11 (= D12), D121 (= D131)
binding glycerol: R179 (= R194), L206 (≠ E222)

P60664 Imidazole glycerol phosphate synthase subunit HisF; IGP synthase cyclase subunit; IGP synthase subunit HisF; ImGP synthase subunit HisF; IGPS subunit HisF; EC 4.3.2.10 from Escherichia coli (strain K12) (see paper)
44% identity, 99% coverage: 3:256/256 of query aligns to 2:256/258 of P60664

query
sites
P60664

L

L

A

A

K

K

R
|
R

I

I

P

P

C

C

L

L

D

D

V

V

D

R

N

D

G

G

R

Q

V

V

K

K

G

G

V

V

Q

Q

F

F

E

R

N

N

I

H

R

E

D

I

A

I

G

G

D

D

P

I

V

V

E

P

I

L

A

A

R

K

R

R

Y

Y

D

A

E

E

Q

E

G

G

A

A

D

D

E
|
E

I

L

T

V

F

F

L

Y

D

D

I

I

T

T

A

A

S

S

V

S

D

D

N

G

R

R

D

V

T

V

T

D

L

K

H

S

T

W

V

V

E

S

R

R

M

V

A

A

S

E

Q

V

V

I

F

D

I

I

P

P

L

F

T

C

V

V

G

A

G

G

V

I

R

K

T

S

V

L

Q

E

D

D

I

A

R

A

N

K

L

I

L

L

N

S

A

F

G

G

A

A

D

D

K

K

V

I

S

S

I

I

N

N

T

S

A

P

A

A

V

L

F

A

N

D

P

P

D

T

F

L

V

I

G

T

E

R

A

L

A

A

D

D

R

R

F

F

G

G

S

V

Q
|
Q

C
|
C

I

I

V

V

A

G

I

I

D

D

A

T

K

-

V

-

S

W

A

Y

P

D

G

A

E

E

P

T

G

G

R

K

W

Y

E

H

I

V

F

N

T

Q

H

Y

G

T

G

G

-

D

-

E

-

S

-

R

R

T

K

R

P

V

T

T

G

Q

L

W

D

E

A

T

V

L

E

D

W

W

A

V

K

Q

K

E

M

V

E

Q

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

V

L

L

T

N

S

M

M

M

D

N

Q

Q

D

D

G

G

V

V

K

R

S

N

G

G

Y

Y

D

D

L

L

G

E

V

Q

T

L

R

K

A

K

I

V

S

R

E

E

A

V

L

C

C

H

I

V

P

P

V

L

I

I

A

A

S

S

G

G

V

A

G

G

N

T

L

M

Q

E

H

H

L

F

A

L

D

E

G

A

I

F

L

R

E

D

G

A

K

D

A

V

D

D

A

G

V

A

L

L

A

A

S

S

I

V

F

F

H

H

F

K

G

Q

E

I

Y

I

T

N

V

I

P

G

E

E

A

L

K

K

A

A

Y

Y

L

L

A

A

A

T

R

Q

G

G

I

V

V

E

M

I

R

R

R5 (= R6) mutation to A: Loss of activity.; mutation to H: Loss of IGP synthase activity. Weak IGP synthase activity and reduced HisH activity in vitro.
E46 (= E47) mutation to A: Loss of activity.; mutation to G: Loss of IGP synthase activity. Weak IGP synthase and HisH activities in vitro.
Q123 (= Q124) mutation to A: Decrease in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.
C124 (= C125) mutation to A: No change in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.

3iivB Evolutionary optimization of computationally designed enzymes: kemp eliminases of the ke07 series (see paper)
47% identity, 100% coverage: 2:256/256 of query aligns to 1:248/262 of 3iivB

query
sites
3iivB

A

A

L

L

A

A

K

K

R

R

I

I

I

D

P

A

C

A

L

L

D

I

V

L

D

K

N

D

G

G

R

R

V

V

K

K

G

G

V

S

Q

N

F

F

E

E

N

N

I

L

R

R

D

D

A

S

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

S

F

F

L

W

D

D

I

I

T

T

A

A

S

S

V

V

D

E

N

K

R

K

D

-

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

I

T

T

V

V

G

G

V

I

R

Y

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S
x
E

I

I

N

N

T

T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

Y

I

I

D

A

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

T

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

V

L

L

T

G

S

S

M

I

D

D

Q

R

D

L

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

H

G

R

G

G

V

A

G

G

N

K

L

T

Q

E

H

H

L

F

A

L

D

E

G

A

I

F

L

L

E

A

G

G

K

-

A

A

D

D

A

A

V

A

L
x
K

A

A

A

D

S

S

I

V

F

F

H

H

F

S

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

binding magnesium ion: E100 (≠ S102), K221 (≠ L229)

2wjzE Crystal structure of (hish) k181a y138a mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity (see paper)
49% identity, 99% coverage: 3:256/256 of query aligns to 2:235/237 of 2wjzE

query
sites
2wjzE

L

L

A

A

K

K

R

R

I

I

P

A

C

C

L

L

D
|
D

V

V

D

K

N

D

G

G

R

R

V

V

K

-

G

-

V

-

Q

-

F

-

E

-

N

-

I

-

R

-

D

-

A

-

G

G

D

D

P

P

V

V

E

E

I

L

A

G

R

K

R

F

Y

Y

D

S

E

E

Q

I

G

G

A

I

D

D

E

E

I

L

T

V

F

F

L

L

D

D

I

I

T

T

A

A

S

-

V

-

D

-

N

K

R

R

D

K

T

T

T

M

L

L

H

E

T

L

V

V

E

E

R

K

M

V

A

A

S

E

Q

Q

V

I

F

D

I

I

P

P

L

F

T

T

V

V

G

G

G
|
G

V

I

R

H

T

D

V

F

Q

E

D

T

I

A

R

S

N

E

L

L

L

I

N

L

A

R

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N
|
N

T
|
T

A

A

V

V

F

E

N

N

P

P

D

S

F

L

V

I

G

T

E

Q

A

I

A

A

D

Q

R

T

F

F

G

G

S

S

Q

Q

C

A

I

V

V

V

A

A

I

I

D
|
D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D

D

G

G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

-

I

A

L

F

E

L

G

A

K

G

A

A

D

D

A

A

V

A

L

L

A

A

S

S

I

V

F

F

H

H

F

F

G

R

E

E

Y

I

T

D

V

V

P

R

E

E

A

L

K

K

A

E

Y

Y

L

L

A

K

R

H

G

G

I

V

V

N

M

V

R

R

active site: D11 (= D12), D116 (= D131)
binding phosphate ion: G68 (= G83), N89 (= N104), T90 (= T105)

P33734 Imidazole glycerol phosphate synthase hisHF; IGP synthase; IGPS; ImGP synthase; EC 4.3.2.10; EC 3.5.1.2 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
37% identity, 99% coverage: 3:256/256 of query aligns to 236:548/552 of P33734

query
sites
P33734

L

L

A

T

K

R

R
|
R

I

I

P

A

C

C

L

L

D

D

V

V

-

R

-

T

-

N

D

D

N

Q

G

G

R

D

V

L

V

V

-

V

-

T

K
|
K

G

G

V

D

Q

Q

F

Y

E

D

-

V

-

R

-

E

-

K

-

S

-

D

-

G

-

K

N

G

I

V

R

R

D

N

A

L

G

G

D

K

P

P

V

V

E

Q

I

L

A

A

R

Q

R

K

Y

Y

D

Y

E

Q

Q

Q

G

G

A

A

D

D

E

E

I

V

T

T

F

F

L

L

D

N

I

I

T

T

A

S

S

F

V

R

D

D

N

C

-

P

-

L

R

K

D

D

T

T

-

P

T

M

L

L

H

E

T

V

V

L

E

K

R

Q

M

A

A

A

S

K

Q

T

V

V

F

F

I

V

P

P

L

L

T

T

V

V

G

G

V

I

R

K

T

D

V

I

Q

V

D

D

I

V

R

D

N

G

-

T

-

K

-

I

-

P

-

A

-

L

-

E

-

V

-

A

-

S

-

L

L

Y

L

F

N

R

A

S

G

G

A

A

D

D

K
|
K

V

V

S

S

I

I

N

G

T

T

A

D

A

A

V

V

F

Y

N

A

P

A

D

E

F

K

V

Y

G

Y

E

E

A

L

A

G

D

N

R

R

-

G

-

D

-

G

-

T

-

S

-

P

-

I

-

E

-

T

-

I

-

S

-

K

-

A

F

Y

G

G

S

A

Q

Q

C

A

I

V

V

V

V

I

A

S

I

V

D

D

A

P

K

K

K

R

V

V

-

Y

-

V

-

N

-

S

-

Q

-

A

-

D

-

T

-

K

-

N

-

K

-

V

-

F

-

E

-

T

S

E

A

Y

P

P

G

G

E

P

P

N

G

G

R

E

-

K

-

Y

-

C

-

W

W

Y

E

Q

I

C

F

T

T

I

H

K

G

G

R

R

K

E

P

S

T

R

G

D

L

L

D

G

A

V

V

W

E

E

W

L

A

T

K

R

K

A

M

C

E

E

A

A

L

L

G

G

A

A

G

G

E

E

I

I

L

L

T

N

S

C

M

I

D

D

Q

K

D

D

G

G

V

S

K

N

S

S

G

G

Y

Y

D

D

L

L

G

E

V

L

T

I

R

E

A

H

I

V

S

K

E

D

A

A

L

V

C

K

I

I

P

P

V

V

I

I

A

A

S

S

G

S

G

G

V

A

G

G

N

V

L

P

Q

E

H

H

L

F

A

E

D

E

G

A

I

F

L

L

E

K

G

T

K

R

A

A

D

D

A

A

V

C

L

L

A

G

A

A

S

G

I

M

F

F

H

H

F

R

G

G

E

E

Y

F

T

T

V

V

P

N

E

D

A

V

K

K

A

E

Y

Y

L

L

A

L

A

E

R

H

G

G

I

L

V

K

M

V

R

R

R239 (= R6) mutation R->A,H,K: 1000-fold decrease in catalytic efficiency. Uncoupling of glutaminase activity from the cyclase activity.
K258 (= K20) mutation to A: No activity. Uncoupling of glutaminase activity from the cyclase activity.; mutation to R: Small reduction of activity.
K360 (= K100) mutation K->A,R: Almost no effect on activity.

1ox4B Towards understanding the mechanism of the complex cyclization reaction catalyzed by imidazole glycerophosphate synthase (see paper)
38% identity, 99% coverage: 3:256/256 of query aligns to 239:536/538 of 1ox4B

query
sites
1ox4B

L

L

A

T

K

R

R

R

I

I

P

A

C

C

L

L

D
|
D

V

V

-

R

-

T

-

N

D

D

N

Q

G

G

R

D

V

L

V

V

-

V

-

T

K

K

G

G

V

-

Q

-

F

-

E

-

N

-

I

-

R

-

D

D

A

L

G

G

D

K

P

P

V

V

E

Q

I

L

A

A

R

Q

R

K

Y

Y

D

Y

E

Q

Q

Q

G

G

A

A

D

D

E

E

I

V

T

T

F

F

L

L

D

N

I

I

T

T

A

S

S

F

V

R

D

D

N

C

-

P

-

L

R

K

D

D

T

T

-

P

T

M

L

L

H

E

T

V

V

L

E

K

R

Q

M

A

A

A

S

K

Q

T

V

V

F

F

I

V

P

P

L

L

T

T

V

V

G

G

V

I

R

K

T

D

V

I

Q

V

D

D

I

V

R

D

N

G

-

T

-

K

-

I

-

P

-

A

-

L

-

E

-

V

-

A

-

S

-

L

L

Y

L

F

N

R

A

S

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N

G

T

T

A

D

A

A

V

V

F

Y

N

A

P

A

D

E

F

K

V

Y

G

Y

E

E

A

L

A

G

D

N

R

R

-

G

-

D

-

G

-

T

-

S

-

P

-

I

-

E

-

T

-

I

-

S

-

K

-

A

F

Y

G

G

S

A

Q

Q

C

A

I

V

V

V

V

I

A

S

I

V

D
|
D

A

P

K

K

K

R

V

V

-

Y

-

V

-

N

-

S

-

Q

-

A

-

D

-

T

-

K

-

N

-

K

-

V

-

F

-

E

-

T

S

E

A

Y

P

P

G

G

E

P

P

N

G

G

R

E

-

K

-

Y

-

C

-

W

W

Y

E

Q

I

C

F

T

T

I

H

K

G

G

R

R

K

E

P

S

T

R

G

D

L

L

D

G

A

V

V

W

E

E

W

L

A

T

K

R

K

A

M

C

E

E

A

A

L

L

G

G

A

A

G

G

E

E

I

I

L

L

T

N

S

C

M

I

D

D

Q

K

D

D

G
|
G

V

S

K

N

S

S

G

G

Y

Y

D

D

L

L

G

E

V

L

T

I

R

E

A

H

I

V

S

K

E

D

A

A

L

V

C

K

I

I

P

P

V

V

I

I

A

A

S

S

G
x
S

G

G

V

A

G

G

N

V

L

P

Q

E

H

H

L

F

A

E

D

E

G

A

I

F

L

L

E

K

G

T

K

R

A

A

D

D

A

A

V

C

L

L

A

G

A
|
A

S
x
G

I

M

F

F

H

H

F

R

G

G

E

E

Y

F

T

T

V

V

P

N

E

D

A

V

K

K

A

E

Y

Y

L

L

A

L

A

E

R

H

G

G

I

L

V

K

M

V

R

R

active site: D248 (= D12), D392 (= D131)
binding pyrophosphate 2-: G463 (= G183), S488 (≠ G208), A511 (= A231), G512 (≠ S232)

1ox5A Towards understanding the mechanism of the complex cyclization reaction catalyzed by imidazole glycerophosphate synthase (see paper)
37% identity, 99% coverage: 3:256/256 of query aligns to 239:530/532 of 1ox5A

query
sites
1ox5A

L

L

A

T

K

R

R

R

I

I

P

A

C

C

L

L

D
|
D

V

V

-

R

-

T

-

N

D

D

N

Q

G

G

R

D

V

L

V

V

K

-

G

-

V

-

Q

-

F

-

E

-

N

-

I

V

R

T

D

K

A

L

G

G

D

K

P

P

V

V

E

Q

I

L

A

A

R

Q

R

K

Y

Y

D

Y

E

Q

Q

Q

G

G

A

A

D

D

E

E

I

V

T

T

F

F

L
|
L

D

N

I
|
I

T

T

A

C

S

P

V

L

D

-

N

-

R

K

D

D

T

T

-

P

T

M

L

L

H

E

T

V

V

L

E

K

R

Q

M

A

A

A

S

K

Q

T

V

V

F

F

I

V

P

P

L

L

T

T

V

V

G

G

G
|
G

G

G

V

I

R

K

T

D

V

I

Q

V

D

D

I

V

R

D

N

G

-

T

-

K

-

I

-

P

-

A

-

L

-

E

-

V

-

A

-

S

-

L

L

Y

L

F

N

R

A

S

G

G

A

A

D

D

K

K

V

V

S

S

I

I

N
x
G

T
|
T

A

D

A

A

V

V

F

Y

N

A

P

A

D

E

F

K

V

Y

G

Y

E

E

A

L

A

G

D

N

R

R

-

G

-

D

-

G

-

T

-

S

-

P

-

I

-

E

-

T

-

I

-

S

-

K

-

A

F

Y

G

G

S

A

Q

Q

C

A

I

V

V

V

V

I

A
x
S

I

V

D
|
D

A

P

K

K

K

R

V

V

-

Y

-

V

-

N

-

S

-

Q

-

A

-

D

-

T

-

K

-

N

-

K

-

V

-

F

-

E

-

T

S

E

A

Y

P

P

G

G

E

P

P

N

G

G

R

E

-

K

-

Y

-

C

-

W

W

Y

E

Q

I

C

F

T

T

I

H

K

G
|
G

G

G

R

R

K

E

P

S

T

R

G

D

L

L

D

G

A

V

V

W

E

E

W

L

A

T

K

R

K

A

M

C

E

E

A

A

L

L

G

G

A

A

G

G

E

E

I

I

L

L

T
x
N

S

C

M

I

D

D

Q

K

D
|
D

G
|
G

V

S

K

N

S

S

G

G

Y

Y

D

D

L

L

G

E

V

L

T

I

R

E

A

H

I

V

S

K

E

D

A

A

L

V

C

K

I

I

P

P

V

V

I

I

A

A

S

S

G
x
S

G

G

V

A

G

G

N

V

L

P

Q

E

H

H

L

F

A

E

D

E

G

A

I

F

L

L

E

K

G

T

K

R

A

A

D

D

A

A

V

C

L

L

A

G

A
|
A

S
x
G

I

M

F

F

H

H

F

R

G

G

E

E

Y

F

T

T

V

V

P

N

E

D

A

V

K

K

A

E

Y

Y

L

L

A

L

A

E

R

H

G

G

I

L

V

K

M

V

R

R

active site: D248 (= D12), D386 (= D131)
binding phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester: L283 (= L51), I285 (= I53), G313 (= G82), G346 (≠ N104), T347 (= T105), S384 (≠ A129), D386 (= D131), G424 (= G150), N451 (≠ T177), D456 (= D182), G457 (= G183), S482 (≠ G208), A505 (= A231), G506 (≠ S232)

3tdmA Computationally designed tim-barrel protein, halfflr (see paper)
47% identity, 41% coverage: 124:228/256 of query aligns to 1:99/120 of 3tdmA

query
sites
3tdmA

Q

Q

C

A

I

V

V

V

A

A

I

I

D

D

A

A

K

K

K

R

V

V

S

D

A

-

P

-

G

-

E

-

P

-

G

G

R

E

W

F

E

M

I

V

F

F

T

T

H

Y

G

S

G

G

R

K

K

K

P

N

T

T

G

G

L

I

D

L

A

L

V

R

E

D

W

W

A

V

K

V

K

E

M

V

E

E

A

K

L

R

G

G

A

A

G

G

E

E

I

I

L

L

T

T

S

S

M

I

D

D

Q

R

D
|
D

G
|
G

V

T

K

K

S

S

G

G

Y

Y

D

D

L

T

G

E

V

M

T

I

R

R

A

F

I

V

S

R

E

P

A

L

L

T

C

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

G

G

N

K

L

M

Q

E

H

H

L

F

A

L

D

E

G

A

I

F

L

L

E

R

G

G

K

-

A

A

D

D

A

K

V

V

binding phosphate ion: D54 (= D182), G55 (= G183)

Sites not aligning to the query:

binding phosphate ion: 102, 103

5ab3A S.Enterica hisa mutant d7n, d10g, dup13-15, q24l, g102a (see paper)
29% identity, 93% coverage: 7:244/256 of query aligns to 2:235/241 of 5ab3A

query
sites
5ab3A

I

I

P

P

C

A

L

L

D
x
N

V

L

D

I

N

G

G

G

R

T

V

V

K

R

G

V

V

V

Q
x
R

-

L

-

H

-

Q

-

G

-

D

F
x
Y

E

A

N

R

I

L

R

R

D

D

A

Y

G

G

-

N

D

D

P

P

V

L

E

P

I

R

A

L

R

Q

R

D

Y

Y

D

A

E

A

Q

Q

G

G

A

A

D

G

E

V

I

L

T

H

F

L

L
x
V

D

D

I

L

T

T

A

G

S

A

V

K

D

D

N

P

R

A

D

K

T

R

T

Q

L

I

H

P

T

L

V

I

E

K

R

T

M

L

A

V

S

A

Q

G

V

V

F

N

I

V

P

P

L

V

T

Q

V

V

G

G

G
|
G

V

V

R

R

T

T

V

E

Q

E

D

D

I

V

R

A

N

A

L

L

N

K

A

A

G

G

A

V

D

A

K

R

V

V

S

V

I

I

N
x
A

T
x
S

A

T

A

A

V

V

F

K

N

S

P

P

D

D

F

V

V

V

G

K

E

G

A

W

A

F

D

E

R

R

F

F

G

G

S

A

Q

Q

C

A

I

L

V

V

V

L

A
|
A

I

L

D
|
D

A

V

K

R

K

-

V

-

S

-

A

-

P

-

G

-

E

-

P

-

G

-

R

-

W

-

E

-

I

I

F

D

T

E

H

H

G

G

G

T

R

K

K

Q

-

V

-

A

P

V

T

S

G

G

L

V

D

S

A

L

V

E

E

Q

W

L

A

V

K

E

K

T

M

Y

E

L

A

P

L

V

G

G

A

L

G

K

E

H

I

V

L

L

L

C

T

T

S

D

M

I

D

S

Q

R

D

D

G
|
G

V

T

K

L

S

A

G

G

Y

S

D

N

L

V

G

-

V

-

T

-

R

-

A

S

I

L

S

Y

E

E

A

E

L

V

C

C

-

A

-

R

I

Y

P

P

V

Q

I

I

A

A

-

F

-

Q

-

S

S
|
S

G
|
G

V

I

G

G

N

D

L

I

Q

D

H

D

L

I

A

A

D

A

G

L

I

R

L

G

E

T

G

G

K

V

A

R

D

G

A

V

V

I

L

V

A
x
G

A
x
R

S

A

I

L

F

L

H

E

F

-

G

G

E

K

Y

F

T

T

V

V

P

K

E

E

A

A

active site: N7 (≠ D12), D132 (= D131)
binding [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate: N7 (≠ D12), R18 (≠ Q23), Y24 (≠ F24), V52 (≠ L51), G84 (= G83), A105 (≠ N104), S106 (≠ T105), A130 (= A129), D132 (= D131), G174 (= G183), S199 (= S207), G200 (= G208), G201 (= G209), G222 (≠ A230), R223 (≠ A231)

5abtA S.Enterica hisa mutant d7n, g102a, v106m, d176a
29% identity, 93% coverage: 7:244/256 of query aligns to 2:238/246 of 5abtA

query
sites
5abtA

I

I

P

P

C

A

L

L

D
x
N

V

L

D

I

N

D

G

G

R

T

V

V

K

R

G

L

V

H

Q

Q

-
x
G

-

D

F

Y

E

A

N

R

I

Q

R

R

D

D

A

Y

G

G

-

N

D

D

P

P

V

L

E

P

I

R

A

L

R

Q

R

D

Y

Y

D

A

E

A

Q

Q

G

G

A

A

D

G

E

V

I

L

T

H

F

L

L
x
V

D

D

I
x
L

T

T

A

G

S

A

V

K

D

D

N

P

R

A

D

K

T

R

T

Q

L

I

H

P

T

L

V

I

E

K

R

T

M

L

A

V

S

A

Q

G

V

V

F

N

I

V

P

P

L

V

T

Q

V

V

G

G

G
|
G

V

V

R
|
R

T

T

V

E

Q

E

D

D

I

V

R

A

N

A

L

L

N

K

A

A

G

G

A

V

D

A

K

R

V

V

S
x
V

I

I

N
x
A

T
x
S

A

T

A

A

V

M

F

K

N

S

P

P

D

D

F

V

V

V

G

K

E

G

A

W

A

F

D

E

R

R

F

F

G

G

S

A

Q

Q

C

A

I

L

V

V

V

L

A

A

I

L

D
|
D

A

V

K

R

K

I

V

-

S

-

A

-

P

-

G

D

E

E

P

H

G

G

R

T

W

K

E

Q

I

V

F

A

T

V

H

S

G
|
G

G
x
W

R

Q

K

E

P

N

T

S

G

G

L

V

D

S

A

L

V

E

E

Q

W

L

A

V

K

E

K

T

M

Y

E

L

A

P

L

V

G

G

A

L

G

K

E

H

I

V

L

L

L

C

T

T

S

D

M

I

D

S

Q

R

D

A

G
|
G

V

T

K

L

S

A

G

G

Y

S

D

N

L

V

G

-

V

-

T

-

R

-

A

S

I

L

S

Y

E

E

A

E

L

V

C

C

-

A

-

R

I

Y

P

P

V

Q

I

I

A

A

-

F

-

Q

-

S

S
|
S

G
|
G

G

G

V

I

G

G

N

D

L

I

Q

D

H

D

L

I

A

A

D

A

G

L

I

R

L

G

E

T

G

G

K

V

A

R

D

G

A

V

V
x
I

L

V

A
x
G

A
x
R

S

A

I

L

F

L

H

E

F

-

G

G

E

K

Y

F

T

T

V

V

P

K

E

E

A

A

active site: N7 (≠ D12), D129 (= D131)
binding [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate: N7 (≠ D12), G19 (vs. gap), V49 (≠ L51), L51 (≠ I53), G81 (= G83), R83 (= R85), V100 (≠ S102), A102 (≠ N104), S103 (≠ T105), D129 (= D131), G144 (= G150), W145 (≠ G151), G177 (= G183), S202 (= S207), G203 (= G208), I223 (≠ V228), G225 (≠ A230), R226 (≠ A231)

4tx9A Crystal structure of hisap from streptomyces sviceus with degraded profar (see paper)
27% identity, 82% coverage: 7:216/256 of query aligns to 11:210/246 of 4tx9A

query
sites
4tx9A

I

L

P

P

C

A

L

V

D
|
D

V

V

D

R

N

D

G

G

R

Q

V

A

V

V

K

R

G

L

V

V

Q

H

F
x
G

E

E

N

S

I

G

R

T

D

E

A

T

-

S

-

Y

G

G

D

S

P

P

V

L

E

E

I

A

A

A

R

L

R

S

Y

W

D

Q

E

R

Q

A

G

G

A

A

D

E

E

W

I

L

T

H

F

L

L
x
V

D

D

I
x
L

T

D

A

A

S

A

V

F

-

G

-

T

-

G

D

D

N

N

R

R

D

E

T

L

T

V

L

R

H

Q

T

V

V

T

E

E

R

A

M

M

A

D

S

-

Q

-

V

-

F

-

I

I

P

K

L

V

T

E

V

L

G
x
S

G

G

G
|
G

V

I

R
|
R

T

D

V

D

Q

A

D

S

I

L

R

A

N

A

L

A

L

L

N

A

A

T

G

G

A

C

D

T

K

R

V

V

S

N

I

L

N
x
G

T
|
T

A

A

V

L

F

E

N

S

P

P

D

E

F

W

V

V

G

A

E

K

A

V

A

I

D

A

R

E

F

H

G

G

S

D

Q

R

C

-

I

I

V

A

V

V

A

G

I

L

D
|
D

A

V

K

R

K

G

V

T

S

T

A

L

P

K

G

G

E

R

P

-

G

-

R

-

W

-

E

-

I

-

F

-

T

-

H

-

G

-

G
|
G

R
x
W

K

T

P

S

T

E

G

G

L

G

D

D

A

L

V

Y

E

E

W

A

A

L

K

E

K

R

M

L

E

D

A

K

L

E

G

G

A

C

G

A

E

R

I

Y

L

V

T

T

S

D

M

I

D

A

Q

K

D

D

G

G

V

T

K

L

S

Q

G

G

Y

P

D

N

L

L

G

E

V

L

T

L

R

R

A

N

I

V

S

C

E

A

A

A

L

T

C

D

I

R

P

P

V

V

I

V

A

A

S

S

G

G

V

V

G

S

N

S

L

L

Q

D

H

D

L

L

active site: D16 (= D12), D135 (= D131)
binding aminoimidazole 4-carboxamide ribonucleotide: G28 (≠ F24), V57 (≠ L51), L59 (≠ I53), S86 (≠ G81), G88 (= G83), R90 (= R85), G109 (≠ N104), T110 (= T105), D135 (= D131), G145 (= G151), W146 (≠ R152)

Q9X0C7 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase; Phosphoribosylformimino-5-aminoimidazole carboxamide ribotide isomerase; EC 5.3.1.16 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
23% identity, 94% coverage: 7:247/256 of query aligns to 3:239/241 of Q9X0C7

query
sites
Q9X0C7

I

V

P

P

C

A

L

I

D
|
D

V

L

D

F

N

R

G

G

-

K

-

V

-

A

R

R

V

M

V

I

K

K

G

G

V

R

Q

K

F

E

E

N

N

T

I

I

R

F

D

Y

A

E

G

K

D

D

P

P

V

V

E

E

I

L

A

V

R

E

R

K

Y

L

D

I

E

E

Q

E

G

G

A

F

D

T

E

L

I

I

T
x
H

F

V

L

V

D
|
D

I

L

T

S

A

N

S

A

V

I

D

E

N

N

R

S

D

G

T

E

T

N

L

L

H

P

T

V

V

L

E

E

R

K

M

L

A

-

S

S

Q

E

V

F

F

A

I

E

P

H

L

I

T

Q

V

I

G

G

V

I

R
|
R

T

S

V

L

Q

D

D

Y

I

A

R

E

N

K

L

L

L

R

N

K

A

L

G

G

A

Y

D

R

K

R

V

Q

S

I

I

V

N

S

T

S

A

K

A

V

V

L

F

E

N

D

P

P

D

S

F

F

V

L

G

K

E

S

A

L

A

R

D

E

R

-

F

-

G

-

S

-

Q

-

C

-

I

-

V

-

A

-

I

I

D

D

A

V

K

E

K

P

V

V

S

-

A

-

P

-

G

-

E

-

P

-

G

-

R

-

W

F

E

S

I

L

F
x
D

T

T

H

R

G

G

R

R

-

V

-

A

-

F

-

K

-

G

-

W

-

L

K

A

P

E

T

E

G

E

L

I

D

D

A

P

V

V

E

S

W

L

A

L

K

K

K

R

M

L

E

K

A

E

L

Y

G

G

A

L

G

E

E

E

I

I

L

V

L

H

T
|
T

S

E

M

I

D

E

Q

K

D

D

G

G

V

T

K

L

S

Q

G

E

Y

H

D

D

L

F

G

S

V

L

T

T

R

K

A

K

I

I

S

A

E

I

A

E

L

A

C

E

I

V

P

K

V

V

I

L

A

A

S

A

G

G

V

I

G

S

N

S

L

E

Q

N

H

S

L

L

-

K

-

T

-

A

-

Q

-

K

-

V

-

H

-

T

-

E

A

T

D

N

G

G

I

L

L

L

E

K

G

G

K

-

A

-

D

-

A

-

V

V

L

I

A

V

A

G

S

R

I

A

F

F

H

L

F

E

G

G

E

I

Y

L

T

T

V

V

P

E

E

V

A

M

K

K

A

R

Y

Y

D8 (= D12) mutation to N: Loss of activity.
H48 (≠ T49) mutation to A: Decrease in activity.
D51 (= D52) mutation to N: Decrease in activity.
R83 (= R85) mutation to N: Decrease in activity.
D127 (≠ F147) mutation to N: Almost no activity.
T164 (= T177) mutation to A: Strong decrease in activity.

Query Sequence

>WP_011915090.1 NCBI__GCF_000013785.1:WP_011915090.1
MALAKRIIPCLDVDNGRVVKGVQFENIRDAGDPVEIARRYDEQGADEITFLDITASVDNR
DTTLHTVERMASQVFIPLTVGGGVRTVQDIRNLLNAGADKVSINTAAVFNPDFVGEAADR
FGSQCIVVAIDAKKVSAPGEPGRWEIFTHGGRKPTGLDAVEWAKKMEALGAGEILLTSMD
QDGVKSGYDLGVTRAISEALCIPVIASGGVGNLQHLADGILEGKADAVLAASIFHFGEYT
VPEAKAYLAARGIVMR

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