SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012035876.1 NCBI__GCF_000063445.1:WP_012035876.1 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)

O58056 Formate-dependent phosphoribosylglycinamide formyltransferase; 5'-phosphoribosylglycinamide transformylase 2; Formate-dependent GAR transformylase; GAR transformylase 2; GART 2; Non-folate glycinamide ribonucleotide transformylase; Phosphoribosylglycinamide formyltransferase 2; EC 6.3.1.21 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
54% identity, 98% coverage: 3:418/426 of query aligns to 2:420/430 of O58056

query
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O58056

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R118 (= R118) binding ATP
K159 (= K158) binding ATP
EEHI 199:202 (≠ EEFI 197:200) binding ATP
E207 (= E205) binding ATP

2dwcB Crystal structure of probable phosphoribosylglycinamide formyl transferase from pyrococcus horikoshii ot3 complexed with adp
52% identity, 98% coverage: 3:418/426 of query aligns to 4:409/409 of 2dwcB

query
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2dwcB

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active site: E265 (= E279), E277 (= E293), D284 (= D300), T285 (= T301), R372 (= R382)
binding adenosine-5'-diphosphate: R120 (= R118), H159 (≠ V156), K161 (= K158), H190 (≠ F199), I191 (= I200), F193 (= F202), E196 (= E205), F267 (= F281), E277 (= E293)

1kjiA Crystal structure of glycinamide ribonucleotide transformylase in complex with mg-amppcp (see paper)
44% identity, 95% coverage: 8:410/426 of query aligns to 2:388/389 of 1kjiA

query
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1kjiA

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active site: E114 (= E119), K154 (= K158), S159 (= S163), G161 (= G165), E264 (= E279), E276 (= E293), D283 (= D300), T284 (= T301), R360 (= R382)
binding phosphomethylphosphonic acid adenylate ester: R113 (= R118), I152 (≠ V156), K154 (= K158), S159 (= S163), S160 (= S164), G161 (= G165), Q164 (≠ S168), E192 (= E197), V195 (≠ I200), E200 (= E205), Q222 (= Q232), E264 (= E279), F266 (= F281), E276 (= E293)
binding magnesium ion: E264 (= E279), E276 (= E293)

1ez1A Structure of escherichia coli purt-encoded glycinamide ribonucleotide transformylase complexed with mg, amppnp, and gar (see paper)
44% identity, 95% coverage: 8:410/426 of query aligns to 2:388/389 of 1ez1A

query
sites
1ez1A

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

A

-

T

K

R

L

V

M

M

F

L

L

L

G

G

A

S

G
|
G

E
|
E

L
|
L

G

G

K

K

E

E

T

V

M

A

I

I

E

E

A

C

Q

Q

R

R

M

L

G

G

I

V

E

E

I

V

V

I

A

A

V

V

D

D

R

R

Y

Y

A

A

N

D

S

A

P

P

G

A

M

M

Q

H

V

V

A

A

H

H

R

R

S

S

Y

H

V

V

T

I

N

N

M

M

K

L

S

D

E

G

R

D

A

A

L

L

L

R

A

R

I

V

V

V

E

E

K

L

E

E

K

K

P

P

D

H

A

Y

I

I

I

V

P

P

E
|
E

I
|
I

E

E

A

A

I

I

N

A

T

T

D

D

T

M

L

L

F

I

K

Q

L

L

E

E

K

E

E

E

G

G

F

L

F

N

V

V

A

V

P

P

C

C

A

A

N

R

A

A

V

T

W

K

T

L

A

T

M

M

H

N

R
|
R

E
|
E

R

G

L

I

R

R

E

R

A

L

I

A

A

A

-

E

S

E

T

L

G

Q

A

L

R

P

T

T

S

S

K

T

Y

Y

E

R

Y

F

A

A

T

D

D

S

L

E

E

S

S

L

F

F

K

R

A

E

A

A

C

V

K

A

K

D

I

I

G

G

F

Y

P

P

C

C

V
x
I

S

V

K
|
K

P

P

I

V

M

M

S

S

S
|
S

G
|
G

K

K

G

G

S

Q

Y

T

V

F

L

I

K

R

S

S

S

A

K

E

D

Q

V

L

E

A

K

Q

A

A

F

W

K

K

E

Y

A

A

A

Q

K

Q

A

G

R

-

G

G

S

R

S

A

D

G

K

R

I

V

I

I

V

V

E
|
E

E

G

F
x
V

I
x
V

D

K

F
|
F

D

D

V

F

E
|
E

I

I

T

T

A

L

L

L

S

T

V

V

R

S

Y

A

L

V

N

D

G

G

K

-

G

-

K

-

P

-

E

-

S

V

K

H

F

F

V

C

R

A

P

P

L

V

G

G

H

H

Y

R

Q
|
Q

I

E

E

D

G

G

D

D

Y

Y

H

R

A

E

S

S

W

W

H

Q

P

P

W

-

T

-

D

-

A

-

T

-

D

-

K

Q

I

M

D

S

K

P

L

L

E

A

K

L

E

E

-

R

I

A

Y

Q

D

E

Y

I

A

A

G

R

R

K

I

V

M

V

D

L

K

A

L

L

G

G

Y

Y

G

G

L

L

F

F

A

G

H

V

E
|
E

M

L

F
|
F

V

V

D

-

T

-

K

C

N

G

G

D

K

E

V

V

Y

I

A

F

N

S

E
|
E

T

V

A

S

C

P

R

R

P

P

H

H

D
|
D

T
|
T

G

G

L

M

V

V

T

T

I

L

A

I

S

S

M

Q

P

D

F

L

G

-

Y

-

S

S

E

E

F

F

A

A

L

L

H

H

A

V

K

R

A

A

V

F

L

L

G

G

I

L

P

P

I

V

A

G

C

G

E

-

G

-

K

-

V

-

I

I

Q

R

P

Q

R

Y

S

G

T

P

A

A

S

S

H

A

V

V

I

I

L

L

S

P

H

Q

T

L

E

T

G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

V

I

L

R

I

L

F

F

G

G

K
|
K

P

P

E

E

A

I

Y

D

E

G

E

S

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

R

A

A

Q

K

K

H

A

A

H

G

T

Q

V

V

K

K

V

V

S

Q

active site: E114 (= E119), K154 (= K158), S159 (= S163), G161 (= G165), E264 (= E279), E276 (= E293), D283 (= D300), T284 (= T301), R360 (= R382)
binding phosphoaminophosphonic acid-adenylate ester: R113 (= R118), I152 (≠ V156), K154 (= K158), S159 (= S163), S160 (= S164), G161 (= G165), E192 (= E197), V194 (≠ F199), V195 (≠ I200), F197 (= F202), E200 (= E205), Q222 (= Q232), E264 (= E279), F266 (= F281), E276 (= E293)
binding glycinamide ribonucleotide: G20 (= G25), E21 (= E26), L22 (= L27), E81 (= E86), I82 (= I87), S160 (= S164), D283 (= D300), K352 (= K374), R359 (= R381), R360 (= R382)
binding magnesium ion: E264 (= E279), E276 (= E293)

1eyzA Structure of escherichia coli purt-encoded glycinamide ribonucleotide transformylase complexed with mg and amppnp (see paper)
44% identity, 95% coverage: 8:410/426 of query aligns to 2:388/389 of 1eyzA

query
sites
1eyzA

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

A

-

T

K

R

L

V

M

M

F

L

L

L

G

G

A

S

G

G

E

E

L

L

G

G

K

K

E

E

T

V

M

A

I

I

E

E

A

C

Q

Q

R

R

M

L

G

G

I

V

E

E

I

V

V

I

A

A

V

V

D

D

R

R

Y

Y

A

A

N

D

S

A

P

P

G

A

M

M

Q

H

V

V

A

A

H

H

R

R

S

S

Y

H

V

V

T

I

N

N

M

M

K

L

S

D

E

G

R

D

A

A

L

L

L

R

A

R

I

V

V

V

E

E

K

L

E

E

K

K

P

P

D

H

A

Y

I

I

I

V

P

P

E

E

I

I

E

E

A

A

I

I

N

A

T

T

D

D

T

M

L

L

F

I

K

Q

L

L

E

E

K

E

E

E

G

G

F

L

F

N

V

V

A

V

P

P

C

C

A

A

N

R

A

A

V

T

W

K

T

L

A

T

M

M

H

N

R
|
R

E
|
E

R

G

L

I

R

R

E

R

A

L

I

A

A

A

-

E

S

E

T

L

G

Q

A

L

R

P

T

T

S

S

K

T

Y

Y

E

R

Y

F

A

A

T

D

D

S

L

E

E

S

S

L

F

F

K

R

A

E

A

A

C

V

K

A

K

D

I

I

G

G

F

Y

P

P

C

C

V
x
I

S

V

K
|
K

P

P

I

V

M

M

S

S

S
|
S

G
|
G

K

K

G

G

S
x
Q

Y

T

V

F

L

I

K

R

S

S

S

A

K

E

D

Q

V

L

E

A

K

Q

A

A

F

W

K

K

E

Y

A

A

A

Q

K

Q

A

G

R

-

G

G

S

R

S

A

D

G

K

R

I

V

I

I

V

V

E
|
E

E

G

F

V

I
x
V

D

K

F
|
F

D

D

V

F

E
|
E

I

I

T

T

A

L

L

L

S

T

V

V

R

S

Y

A

L

V

N

D

G

G

K

-

G

-

K

-

P

-

E

-

S

V

K

H

F

F

V

C

R

A

P

P

L

V

G

G

H

H

Y

R

Q

Q

I

E

E

D

G

G

D

D

Y

Y

H

R

A

E

S

S

W

W

H

Q

P

P

W

-

T

-

D

-

A

-

T

-

D

-

K

Q

I

M

D

S

K

P

L

L

E

A

K

L

E

E

-

R

I

A

Y

Q

D

E

Y

I

A

A

G

R

R

K

I

V

M

V

D

L

K

A

L

L

G

G

Y

Y

G

G

L

L

F

F

A

G

H

V

E
|
E

M

L

F
|
F

V

V

D

-

T

-

K

C

N

G

G

D

K

E

V

V

Y

I

A

F

N

S

E
|
E

T

V

A

S

C

P

R

R

P

P

H

H

D
|
D

T
|
T

G

G

L

M

V

V

T

T

I

L

A

I

S

S

M

Q

P

D

F

L

G

-

Y

-

S

S

E

E

F

F

A

A

L

L

H

H

A

V

K

R

A

A

V

F

L

L

G

G

I

L

P

P

I

V

A

G

C

G

E

-

G

-

K

-

V

-

I

I

Q

R

P

Q

R

Y

S

G

T

P

A

A

S

S

H

A

V

V

I

I

L

L

S

P

H

Q

T

L

E

T

G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

V

I

L

R

I

L

F

F

G

G

K

K

P

P

E

E

A

I

Y

D

E

G

E

S

R

R

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

R

A

A

Q

K

K

H

A

A

H

G

T

Q

V

V

K

K

V

V

S

Q

active site: E114 (= E119), K154 (= K158), S159 (= S163), G161 (= G165), E264 (= E279), E276 (= E293), D283 (= D300), T284 (= T301), R360 (= R382)
binding phosphoaminophosphonic acid-adenylate ester: R113 (= R118), I152 (≠ V156), K154 (= K158), S159 (= S163), S160 (= S164), G161 (= G165), Q164 (≠ S168), E192 (= E197), V195 (≠ I200), F197 (= F202), E200 (= E205), E264 (= E279), F266 (= F281), E276 (= E293)
binding magnesium ion: E264 (= E279), E276 (= E293)

P33221 Formate-dependent phosphoribosylglycinamide formyltransferase; 5'-phosphoribosylglycinamide transformylase 2; Formate-dependent GAR transformylase; GAR transformylase 2; GART 2; GAR transformylase T; Non-folate glycinamide ribonucleotide transformylase; Phosphoribosylglycinamide formyltransferase 2; EC 6.3.1.21 from Escherichia coli (strain K12) (see 5 papers)
44% identity, 95% coverage: 8:410/426 of query aligns to 3:391/392 of P33221

query
sites
P33221

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

A

-

T

K

R

L

V

M

M

F

L

L

L

G

G

A

S

G

G

E
|
E

L
|
L

G

G

K

K

E

E

T

V

M

A

I

I

E

E

A

C

Q

Q

R

R

M

L

G

G

I

V

E

E

I

V

V

I

A

A

V

V

D

D

R

R

Y

Y

A

A

N

D

S

A

P

P

G

A

M

M

Q

H

V

V

A

A

H

H

R

R

S

S

Y

H

V

V

T

I

N

N

M

M

K

L

S

D

E

G

R

D

A

A

L

L

L

R

A

R

I

V

V

V

E

E

K

L

E

E

K

K

P

P

D

H

A

Y

I

I

I

V

P

P

E
|
E

I

I

E

E

A

A

I

I

N

A

T

T

D

D

T

M

L

L

F

I

K

Q

L

L

E

E

K

E

E

E

G

G

F

L

F

N

V

V

A

V

P

P

C

C

A

A

N

R

A

A

V

T

W

K

T

L

A

T

M

M

H

N

R
|
R

E

E

R

G

L

I

R

R

E

R

A

L

I

A

A

A

-

E

S

E

T

L

G

Q

A

L

R

P

T

T

S

S

K

T

Y

Y

E

R

Y

F

A

A

T

D

D

S

L

E

E

S

S

L

F

F

K

R

A

E

A

A

C

V

K

A

K

D

I

I

G

G

F

Y

P

P

C

C

V

I

S

V

K
|
K

P

P

I

V

M

M

S

S

S
|
S

G
|
G

K
|
K

G
|
G

S
x
Q

Y

T

V

F

L

I

K

R

S

S

S

A

K

E

D

Q

V

L

E

A

K

Q

A

A

F

W

K
|
K

E

Y

A

A

A

Q

K

Q

-

G

A

G

R

R

G

A

S

G

S

A

D

G

K

R

I

V

I

I

V

V

E
|
E

E
x
G

F
x
V

I
x
V

D

K

F

F

D

D

V

F

E
|
E

I

I

T

T

A

L

L

L

S

T

V

V

R

S

Y

A

L

V

N

D

G

G

K

-

G

-

K

-

P

-

E

-

S

V

K

H

F

F

V

C

R

A

P

P

L

V

G

G

H

H

Y

R

Q

Q

I

E

E

D

G

G

D

D

Y

Y

H

R

A

E

S

S

W

W

H

Q

P

P

W

-

T

-

D

-

A

-

T

-

D

-

K

Q

I

M

D

S

K

P

L

L

E

A

K

L

E

E

-

R

I

A

Y

Q

D

E

Y

I

A

A

G

R

R

K

I

V

M

V

D

L

K

A

L

L

G

G

Y

Y

G

G

L

L

F

F

A

G

H

V

E
|
E

M

L

F

F

V

V

D

-

T

-

K

C

N

G

G

D

K

E

V

V

Y

I

A

F

N

S

E
|
E

T

V

A

S

C

P

R

R

P

P

H

H

D
|
D

T

T

G

G

L

M

V

V

T

T

I

L

A

I

S

S

M

Q

P

D

F

L

G

-

Y

-

S

S

E

E

F

F

A

A

L

L

H

H

A

V

K

R

A

A

V

F

L

L

G

G

I

L

P

P

I

V

A

G

C

G

E

-

G

-

K

-

V

-

I

I

Q

R

P

Q

R

Y

S

G

T

P

A

A

S

S

H

A

V

V

I

I

L

L

S

P

H

Q

T

L

E

T

G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

V

I

L

R

I

L

F

F

G

G

K
|
K

P

P

E

E

A

I

Y

D

E

G

E

S

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

R

A

A

Q

K

K

H

A

A

H

G

T

Q

V

V

K

K

V

V

S

Q

EL 22:23 (= EL 26:27) binding N(1)-(5-phospho-beta-D-ribosyl)glycinamide
E82 (= E86) binding N(1)-(5-phospho-beta-D-ribosyl)glycinamide
R114 (= R118) binding ATP
K155 (= K158) binding ATP
SSGKGQ 160:165 (≠ SSGKGS 163:168) binding ATP
G162 (= G165) mutation to I: Strong decrease in the reaction rate for the conversion of formate to FGAR and in the affinity for formate. 3- and 2-fold decrease in the affinity for ATP and GAR, respectively.
K179 (= K182) modified: N6-acetyllysine
EGVV 195:198 (≠ EEFI 197:200) binding ATP
E203 (= E205) binding ATP
E267 (= E279) binding Mg(2+)
E279 (= E293) binding Mg(2+)
D286 (= D300) binding N(1)-(5-phospho-beta-D-ribosyl)glycinamide
K355 (= K374) binding N(1)-(5-phospho-beta-D-ribosyl)glycinamide
RR 362:363 (= RR 381:382) binding N(1)-(5-phospho-beta-D-ribosyl)glycinamide

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1kjjA Crystal structure of glycniamide ribonucleotide transformylase in complex with mg-atp-gamma-s (see paper)
44% identity, 95% coverage: 8:410/426 of query aligns to 2:385/386 of 1kjjA

query
sites
1kjjA

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

A

-

T

K

R

L

V

M

M

F

L

L

L

G

G

A

S

G

G

E

E

L

L

G

G

K

K

E

E

T

V

M

A

I

I

E

E

A

C

Q

Q

R

R

M

L

G

G

I

V

E

E

I

V

V

I

A

A

V

V

D

D

R

R

Y

Y

A

A

N

D

S

A

P

P

G

A

M

M

Q

H

V

V

A

A

H

H

R

R

S

S

Y

H

V

V

T

I

N

N

M

M

K

L

S

D

E

G

R

D

A

A

L

L

L

R

A

R

I

V

V

V

E

E

K

L

E

E

K

K

P

P

D

H

A

Y

I

I

I

V

P

P

E

E

I

I

E

E

A

A

I

I

N

A

T

T

D

D

T

M

L

L

F

I

K

Q

L

L

E

E

K

E

E

E

G

G

F

L

F

N

V

V

A

V

P

P

C

C

A

A

N

R

A

A

V

T

W

K

T

L

A

T

M

M

H

N

R
|
R

E
|
E

R

G

L

I

R

R

E

R

A

L

I

A

A

A

-

E

S

E

T

L

G

Q

A

L

R

P

T

T

S

S

K

T

Y

Y

E

R

Y

F

A

A

T

D

D

S

L

E

E

S

S

L

F

F

K

R

A

E

A

A

C

V

K

A

K

D

I

I

G

G

F

Y

P

P

C

C

V
x
I

S

V

K
|
K

P

P

I

V

M

M

S

S

S
|
S

G
|
G

K

K

G

G

S
x
Q

Y

T

V

F

L

I

K

R

S

S

S

A

K

E

D

Q

V

L

E

A

K

Q

A

A

F

W

K

K

E

Y

A

A

A

Q

K

Q

A

G

R

-

G

-

S

-

D

G

K

R

I

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I

I

V

V

E
|
E

E

G

F

V

I
x
V

D

K

F

F

D

D

V

F

E
|
E

I

I

T

T

A

L

L

L

S

T

V

V

R

S

Y

A

L

V

N

D

G

G

K

-

G

-

K

-

P

-

E

-

S

V

K

H

F

F

V

C

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A

P

P

L

V

G

G

H

H

Y

R

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|
Q

I

E

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D

G

G

D

D

Y

Y

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A

E

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S

W

W

H

Q

P

P

W

-

T

-

D

-

A

-

T

-

D

-

K

Q

I

M

D

S

K

P

L

L

E

A

K

L

E

E

-

R

I

A

Y

Q

D

E

Y

I

A

A

G

R

R

K

I

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M

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D

L

K

A

L

L

G

G

Y

Y

G

G

L

L

F

F

A

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H

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E
|
E

M

L

F
|
F

V

V

D

-

T

-

K

C

N

G

G

D

K

E

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I

A

F

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E
|
E

T

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A

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C

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R

R

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|
D

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|
T

G

G

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M

V

V

T

T

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M

Q

P

D

F

L

G

-

Y

-

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S

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E

F

F

A

A

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L

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H

A

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R

A

A

V

F

L

L

G

G

I

L

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P

I

V

A

G

C

G

E

-

G

-

K

-

V

-

I

I

Q

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Q

R

Y

S

G

T

P

A

A

S

S

H

A

V

V

I

I

L

L

S

P

H

Q

T

L

E

T

G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

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I

L

R

I

L

F

F

G

G

K

K

P

P

E

E

A

I

Y

D

E

G

E

S

R

R

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

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A

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A

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Q

active site: E114 (= E119), K154 (= K158), S159 (= S163), G161 (= G165), E261 (= E279), E273 (= E293), D280 (= D300), T281 (= T301), R357 (= R382)
binding phosphothiophosphoric acid-adenylate ester: R113 (= R118), I152 (≠ V156), K154 (= K158), S159 (= S163), S160 (= S164), G161 (= G165), Q164 (≠ S168), E189 (= E197), V192 (≠ I200), E197 (= E205), Q219 (= Q232), E261 (= E279), F263 (= F281), E273 (= E293)
binding magnesium ion: E261 (= E279), E273 (= E293)

1kj8A Crystal structure of purt-encoded glycinamide ribonucleotide transformylase in complex with mg-atp and gar (see paper)
44% identity, 95% coverage: 8:410/426 of query aligns to 2:385/386 of 1kj8A

query
sites
1kj8A

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

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M

F

L

L

L

G

G

A

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G
|
G

E
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E

L
|
L

G

G

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K

E

E

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M

A

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I

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E

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Q

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E

E

I

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A

A

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D

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Y

A

A

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A

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P

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A

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M

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A

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Y

H

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I

N

N

M

M

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R

D

A

A

L

L

L

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A

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K

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I

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E

I
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I

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E

A

A

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I

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M

L

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Q

L

L

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K

E

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E

G

G

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F

N

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A

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P

C

C

A

A

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R

A

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E

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R

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I

A

A

A

-

E

S

E

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A

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S

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T

Y

Y

E

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Y

F

A

A

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D

D

S

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E

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S

L

F

F

K

R

A

E

A

A

C

V

K

A

K

D

I

I

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G

F

Y

P

P

C

C

V
x
I

S

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|
K

P

P

I

V

M

M

S

S

S
|
S

G
|
G

K

K

G

G

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x
Q

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S

S

A

K

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D

Q

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E

A

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A

A

F

W

K

K

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Y

A

A

A

Q

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Q

A

G

R

-

G

-

S

-

D

G

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I

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I

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E
|
E

E

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F

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x
V

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F
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F

D

D

V

F

E
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E

I

I

T

T

A

L

L

L

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T

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V

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S

Y

A

L

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D

G

G

K

-

G

-

K

-

P

-

E

-

S

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A

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P

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V

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G

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Q

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G

D

D

Y

Y

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A

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S

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W

H

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P

W

-

T

-

D

-

A

-

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-

K

Q

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P

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L

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A

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-

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Y

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A

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L

K

A

L

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G

G

Y

Y

G

G

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L

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F

A

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E
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E

M

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F
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F

V

V

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-

K

C

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G

G

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K

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A

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E
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E

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D
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D

T
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T

G

G

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M

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V

T

T

I

L

A

I

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S

M

Q

P

D

F

L

G

-

Y

-

S

S

E

E

F

F

A

A

L

L

H

H

A

V

K

R

A

A

V

F

L

L

G

G

I

L

P

P

I

V

A

G

C

G

E

-

G

-

K

-

V

-

I

I

Q

R

P

Q

R

Y

S

G

T

P

A

A

S

S

H

A

V

V

I

I

L

L

S

P

H

Q

T

L

E

T

G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

V

I

L

R

I

L

F

F

G

G

K
|
K

P

P

E

E

A

I

Y

D

E

G

E

S

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

R

A

A

Q

K

K

H

A

A

H

G

T

Q

V

V

K

K

V

V

S

Q

active site: E114 (= E119), K154 (= K158), S159 (= S163), G161 (= G165), E261 (= E279), E273 (= E293), D280 (= D300), T281 (= T301), R357 (= R382)
binding adenosine-5'-triphosphate: R113 (= R118), I152 (≠ V156), K154 (= K158), S159 (= S163), S160 (= S164), G161 (= G165), Q164 (≠ S168), E189 (= E197), V192 (≠ I200), F194 (= F202), E197 (= E205), Q219 (= Q232), G222 (= G235), E261 (= E279), F263 (= F281), E273 (= E293)
binding glycinamide ribonucleotide: G20 (= G25), E21 (= E26), L22 (= L27), E81 (= E86), I82 (= I87), S160 (= S164), D280 (= D300), K349 (= K374), R356 (= R381)
binding magnesium ion: E261 (= E279), E273 (= E293)

1kjqA Crystal structure of glycinamide ribonucleotide transformylase in complex with mg-adp (see paper)
43% identity, 95% coverage: 8:410/426 of query aligns to 2:387/388 of 1kjqA

query
sites
1kjqA

V

L

L

L

G

G

T

T

P

A

Y

L

A

R

N

P

G

A

A

A

-

T

K

R

L

V

M

M

F

L

L

L

G

G

A

S

G

G

E

E

L

L

G

G

K

K

E

E

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E

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Q

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M

L

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G

I

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E

E

I

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A

A

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D

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R

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Y

A

A

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A

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P

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A

M

M

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H

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A

A

H

H

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Y

H

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T

I

N

N

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M

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D

E

G

R

D

A

A

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L

L

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A

R

I

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E

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L

E

E

K

K

P

P

D

H

A

Y

I

I

I

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P

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E

I

I

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E

A

A

I

I

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A

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M

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Q

L

L

E

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K

E

E

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G

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F

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A

A

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A

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|
R

E
|
E

R

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I

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E

R

A

L

I

A

A

A

-

E

S

E

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A

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Y

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R

Y

F

A

A

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D

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S

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K

R

A

E

A

A

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K

A

K

D

I

I

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G

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Y

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P

C

C

V
x
I

S

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K
|
K

P

P

I

V

M

M

S

S

S

-

G

-

K

K

G

G

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Y

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S

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A

K

E

D

Q

V

L

E

A

K

Q

A

A

F

W

K

K

E

Y

A

A

A

Q

K

Q

-

G

A

G

R

R

G

A

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G

S

A

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G

K

R

I

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I

I

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V

E
|
E

E

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x
V

I
x
V

D

K

F
|
F

D

D

V

F

E
|
E

I

I

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T

A

L

L

L

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T

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S

Y

A

L

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-

G

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-

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K

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A

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|
Q

I

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D

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G

D

D

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Y

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A

E

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S

W

W

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P

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Y

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A

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L

K

A

L

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Y

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E

M

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F

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T

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G

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F

A

A

L

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A

A

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F

L

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P

I

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A

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C

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G

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K

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Q

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A

A

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G

S

W

Q

Y

N

P

V

Q

T

F

F

-

D

K

N

V

V

D

Q

G

N

A

A

Y

V

A

G

P

A

D

D

T

L

N

Q

V

I

L

R

I

L

F

F

G

G

K

K

P

P

E

E

A

I

Y

D

E

G

E

S

R

R

R
|
R

L

L

G

G

V

V

V

A

L

L

A

A

T

T

A

A

G

E

T

S

V

V

E

V

D

D

A

A

K

I

K

E

K

R

A

A

Q

K

K

H

A

A

H

G

T

Q

V

V

K

K

V

V

S

Q

active site: E114 (= E119), K154 (= K158), E263 (= E279), E275 (= E293), D282 (= D300), T283 (= T301), R359 (= R382)
binding adenosine-5'-diphosphate: R113 (= R118), I152 (≠ V156), K154 (= K158), E191 (= E197), V193 (≠ F199), V194 (≠ I200), F196 (= F202), E199 (= E205), Q221 (= Q232), F265 (= F281), E275 (= E293)
binding magnesium ion: E263 (= E279), E275 (= E293)

3v4sA Crystal structure of adp-atp complex of purk: n5-carboxyaminoimidazole ribonucleotide synthetase (see paper)
28% identity, 88% coverage: 25:401/426 of query aligns to 16:366/380 of 3v4sA

query
sites
3v4sA

G

G

E

Q

L

L

G

G

K

R

E

M

T

M

M

A

I

L

E

A

A

A

Q

K

R

E

M

M

G

G

I

Y

E

K

I

I

V

A

A

V

V

L

D

D

R

P

Y

T

A

K

N

N

S

S

P

P

G

C

M

A

Q

Q

V

V

A

A

H

D

R

I

S

E

Y

I

V

V

T

A

N

S

M

Y

K

D

S

D

E

L

R

K

A

A

L

I

L

Q

A

H

I

L

V

A

E

E

K

I

E

S

K

-

P

-

D

D

A

V

I

V

I

T

P

Y

E

E

I

F

E

E

A

N

I

I

N

D

T

Y

D

R

T

C

L

L

F

Q

K

W

L

L

E

E

K

K

E

H

G

A

F

Y

F

L

V

-

A

-

P

P

C

Q

A

G

N

S

A

Q

V

L

W

L

T

S

-

K

A

T

M

Q

H

N

R
|
R

E

F

R

T

L

E

R

K

E

N

A

A

I

I

A

E

S

K

T

A

G

G

A

L

R

P

T

V

S

A

K

T

Y

Y

E

R

Y

L

A

V

T

Q

D

N

L

Q

E

E

S

Q

F

L

K

T

A

E

A

A

C

I

K

A

K

E

I

L

G

S

F

Y

P

P

C

S

V

V

S

L

K
|
K

P

T

I

T

M

T

S

G

-
x
Y

S

D

G
|
G

K

K

G

G

S
x
Q

Y

V

V

V

L

L

K

R

S

S

S

E

K

A

D

D

V

V

E

D

K

E

A

A

F

R

K

K

E

L

A

A

A

N

K

A

A

A

R

-

G

-

S

-

D

-

K

E

I

C

I

I

V

L

E

E

E

K

F
x
W

I
x
V

D

P

F

F

D

E

V

K

E
|
E

I

V

T

S

A

V

L

I

S

V

V

I

R

R

Y

S

L

V

N

S

G

G

K

E

G

T

K

K

P

-

E

-

S

-

K

-

F

-

V

V

R

F

P

P

L

V

G

A

-

E

H

N

Y

I

Q

H

I

V

E

N

G
x
N

D

I

Y

L

H

H

A

E

S

S

W

I

H

V

P

P

W

-

T

-

D

-

A

-

T

-

D

A

K

R

K

I

I

T

D

E

K

E

L

L

E

S

K

Q

E

K

I

A

Y

I

D

A

Y

Y

A

A

G

K

R

V

I

L

M

A

D

D

K

E

L

L

G

E

G

L

Y

V

G

G

L

T

F

L

A

A

H

V

E

E

M

M

F
|
F

V

A

D

-

T

T

K

A

N

D

G

G

K

E

V

I

Y

Y

A

I

N
|
N

E
|
E

T

L

A

A

C

P

R
|
R

P

P

H
|
H

D
x
N

T

S

G

G

L

H

V

Y

T

T

I

Q

A

D

S

A

M

C

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

G

L

Q

H

H

A

I

K

R

A

A

V

I

L

C

G

N

I

L

P

P

I

L

A

G

C

-

E

E

G

T

K

N

V

L

I

L

Q

K

P

P

R

-

S

-

T

V

A

V

A

M

S

V

H

N

V

I

I

L

L

G

S

E

H

H

T

I

E

E

G

G

W

V

Y

L

P

R

Q

Q

F

V

-

N

K

R

V

L

D

T

G

G

A

C

Y

Y

A

-

P

-

D

-

T

-

N

-

V

L

L

H

I

L

F

Y

G

G

K

K

P

E

E

E

A

A

Y

K

E

A

E

Q

R

R

R

K

L

M

G

G

V

H

V

V

L

N

A

I

T

L

A

N

G

D

T

N

V

I

E

E

D

V

A

A

K

L

K

E

K

K

A

A

Q

K

binding adenosine-5'-diphosphate: R106 (= R118), K146 (= K158), Y152 (vs. gap), G154 (= G165), Q157 (≠ S168), W183 (≠ F199), V184 (≠ I200), E189 (= E205), N215 (≠ G235), F256 (= F281), N266 (= N292), E267 (= E293)
binding carbonate ion: R271 (= R297), H273 (= H299), N274 (≠ D300)

3q2oB Crystal structure of purk: n5-carboxyaminoimidazole ribonucleotide synthetase (see paper)
28% identity, 88% coverage: 25:401/426 of query aligns to 17:367/377 of 3q2oB

query
sites
3q2oB

G

G

E

Q

L

L

G

G

K

R

E

M

T

M

M

A

I

L

E

A

A

A

Q

K

R

E

M

M

G

G

I

Y

E

K

I

I

V

A

A

V

V

L

D

D

R

P

Y

T

A

K

N

N

S

S

P

P

G

C

M

A

Q

Q

V

V

A

A

H

D

R

I

S

E

Y

I

V

V

T

A

N

S

M

Y

K

D

S

D

E

L

R

K

A

A

L

I

L

Q

A

H

I

L

V

A

E

E

K

I

E

S

K

-

P

-

D

D

A

V

I

V

I

T

P

Y

E

E

I

F

E

E

A

N

I

I

N

D

T

Y

D

R

T

C

L

L

F

Q

K

W

L

L

E

E

K

K

E

H

G

A

F

Y

F

L

V

-

A

-

P

P

C

Q

A

G

N

S

A

Q

V

L

W

L

T

S

-

K

A
x
T

M

Q

H

N

R

R

E

F

R

T

L
x
E

R

K

E

N

A

A

I

I

A

E

S

K

T

A

G

G

A

L

R

P

T

V

S

A

K

T

Y

Y

E

R

Y

L

A

V

T

Q

D

N

L

Q

E

E

S

Q

F

L

K

T

A

E

A

A

C

I

K

A

K

E

I

L

G

S

F

Y

P

P

C

S

V

V

S

L

K

K

P

T

I

T

M

T

S

G

-

Y

S

D

G

G

K

K

G

G

S

Q

Y

V

V

V

L

L

K

R

S

S

S

E

K

A

D

D

V

V

E

D

K

E

A

A

F

R

K

K

E

L

A

A

A

N

K

A

A

A

R

-

G

-

S

-

D

-

K

E

I

C

I

I

V

L

E

E

E

K

F

W

I

V

D

P

F

F

D

E

V

K

E

E

I

V

T

S

A

V

L

I

S

V

V

I

R

R

Y

S

L

V

N

S

G

G

K

E

G

T

K

K

P

-

E

-

S

-

K

-

F

-

V

V

R

F

P

P

L

V

G

A

-

E

H

N

Y

I

Q

H

I

V

E

N

G

N

D

I

Y

L

H

H

A

E

S

S

W

I

H

V

P

P

W

-

T

-

D

-

A

-

T

-

D

A

K

R

K

I

I

T

D

E

K

E

L

L

E

S

K

Q

E

K

I

A

Y

I

D

A

Y

Y

A

A

G

K

R

V

I

L

M

A

D

D

K

E

L

L

G

E

G

L

Y

V

G

G

L

T

F

L

A

A

H

V

E

E

M

M

F

F

V

A

D

-

T

T

K

A

N

D

G

G

K

E

V

I

Y

Y

A

I

N

N

E

E

T
x
L

A

A

C

P

R

R

P

P

H

H

D

N

T

S

G

G

L

H

V

Y

T

T

I

Q

A

D

S

A

M

C

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

G

L

Q

H

H

A

I

K

R

A

A

V

I

L

C

G

N

I

L

P

P

I

L

A

G

C

-

E

E

G

T

K

N

V

L

I

L

Q

K

P

P

R

-

S

-

T

V

A

V

A

M

S

V

H

N

V

I

I

L

L

G

S

E

H

H

T

I

E

E

G

G

W

V

Y

L

P

R

Q

Q

F

V

-

N

K

R

V

L

D

T

G

G

A

C

Y

Y

A

-

P

-

D

-

T

-

N

-

V

L

L

H

I

L

F

Y

G

G

K

K

P

E

E

E

A

A

Y

K

E

A

E

Q

R

R

R

K

L

M

G

G

V

H

V

V

L

N

A

I

T

L

A

N

G

D

T

N

V

I

E

E

D

V

A

A

K

L

K

E

K

K

A

A

Q

K

binding magnesium ion: T104 (≠ A115), E110 (≠ L121), L269 (≠ T294)

3v4sB Crystal structure of adp-atp complex of purk: n5-carboxyaminoimidazole ribonucleotide synthetase (see paper)
28% identity, 88% coverage: 25:401/426 of query aligns to 18:368/381 of 3v4sB

query
sites
3v4sB

G

G

E

Q

L

L

G

G

K

R

E

M

T

M

M

A

I

L

E

A

A

A

Q

K

R

E

M

M

G

G

I

Y

E

K

I

I

V

A

A

V

V

L

D

D

R

P

Y

T

A

K

N

N

S

S

P

P

G

C

M

A

Q

Q

V

V

A

A

H

D

R

I

S

E

Y

I

V

V

T

A

N

S

M

Y

K

D

S

D

E

L

R

K

A

A

L

I

L

Q

A

H

I

L

V

A

E

-

K

-

E

E

K

I

P

S

D

D

A

V

I

V

I

T

P

Y

E

E

I

F

E

E

A

N

I

I

N

D

T

Y

D

R

T

C

L

L

F

Q

K

W

L

L

E

E

K

K

E

H

G

A

F

Y

F

L

V

-

A

-

P

P

C

Q

A

G

N

S

A

Q

V

L

W

L

T

S

-

K

A
x
T

M

Q

H

N

R
|
R

E

F

R

T

L
x
E

R

K

E

N

A

A

I

I

A

E

S

K

T

A

G

G

A

L

R

P

T

V

S

A

K

T

Y

Y

E

R

Y

L

A

V

T

Q

D

N

L

Q

E

E

S

Q

F

L

K

T

A

E

A

A

C

I

K

A

K

E

I

L

G

S

F

Y

P

P

C

S

V

V

S

L

K
|
K

P

T

I

T

M

T

S

G

-
x
Y

S
x
D

G
|
G

K

K

G

G

S
x
Q

Y

V

V

V

L

L

K

R

S

S

S

E

K

A

D

D

V

V

E

D

K

E

A

A

F

R

K

K

E

L

A

A

A

N

K

A

A

A

R

-

G

-

S

-

D

-

K

E

I

C

I

I

V

L

E
|
E

E

K

F
x
W

I
x
V

D

P

F
|
F

D

E

V

K

E
|
E

I

V

T

S

A

V

L

I

S

V

V

I

R

R

Y

S

L

V

N

S

G

G

K

E

G

T

K

K

P

-

E

-

S

-

K

-

F

-

V

V

R

F

P

P

L

V

G

A

-

E

H

N

Y

I

Q
x
H

I

V

E

N

G
x
N

D

I

Y

L

H

H

A

E

S

S

W

I

H

V

P

P

W

-

T

-

D

-

A

-

T

-

D

A

K

R

K

I

I

T

D

E

K

E

L

L

E

S

K

Q

E

K

I

A

Y

I

D

A

Y

Y

A

A

G

K

R

V

I

L

M

A

D

D

K

E

L

L

G

E

G

L

Y

V

G

G

L

T

F

L

A

A

H

V

E
|
E

M

M

F
|
F

V

A

D

-

T

T

K

A

N

D

G

G

K

E

V

I

Y

Y

A

I

N

N

E
|
E

T
x
L

A

A

C

P

R
|
R

P

P

H
|
H

D
x
N

T

S

G

G

L

H

V

Y

T

T

I

Q

A

D

S

A

M

C

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

G

L

Q

H

H

A

I

K

R

A

A

V

I

L

C

G

N

I

L

P

P

I

L

A

G

C

-

E

E

G

T

K

N

V

L

I

L

Q

K

P

P

R

-

S

-

T

V

A

V

A

M

S

V

H

N

V

I

I

L

L

G

S

E

H

H

T

I

E

E

G

G

W

V

Y

L

P

R

Q

Q

F

V

-

N

K

R

V

L

D

T

G

G

A

C

Y

Y

A

-

P

-

D

-

T

-

N

-

V

L

L

H

I

L

F

Y

G

G

K

K

P

E

E

E

A

A

Y

K

E

A

E

Q

R

R

R

K

L

M

G

G

V

H

V

V

L

N

A

I

T

L

A

N

G

D

T

N

V

I

E

E

D

V

A

A

K

L

K

E

K

K

A

A

Q

K

binding adenosine-5'-triphosphate: R108 (= R118), K148 (= K158), Y154 (vs. gap), D155 (≠ S164), G156 (= G165), Q159 (≠ S168), E183 (= E197), W185 (≠ F199), V186 (≠ I200), F188 (= F202), E191 (= E205), H214 (≠ Q232), N217 (≠ G235), E256 (= E279), F258 (= F281), E269 (= E293)
binding carbonate ion: R273 (= R297), H275 (= H299), N276 (≠ D300)
binding magnesium ion: T105 (≠ A115), E111 (≠ L121), E256 (= E279), E269 (= E293), L270 (≠ T294)

4dlkA Crystal structure of atp-ca++ complex of purk: n5- carboxyaminoimidazole ribonucleotide synthetase (see paper)
28% identity, 88% coverage: 25:401/426 of query aligns to 17:367/380 of 4dlkA

query
sites
4dlkA

G

G

E

Q

L

L

G

G

K

R

E

M

T

M

M

A

I

L

E

A

A

A

Q

K

R

E

M

M

G

G

I

Y

E

K

I

I

V

A

A

V

V

L

D

D

R

P

Y

T

A

K

N

N

S

S

P

P

G

C

M

A

Q
|
Q

V

V

A
|
A

H

D

R

I

S

E

Y

I

V

V

T

A

N

S

M

Y

K

D

S

D

E

L

R

K

A

A

L

I

L

Q

A

H

I

L

V

A

E

E

K

I

E

S

K

-

P

-

D

D

A

V

I

V

I

T

P

Y

E
|
E

I
x
F

E

E

A

N

I

I

N

D

T

Y

D

R

T

C

L

L

F

Q

K

W

L

L

E

E

K

K

E

H

G

A

F

Y

F

L

V

-

A

-

P

P

C

Q

A

G

N

S

A

Q

V

L

W

L

T

S

-

K

A

T

M

Q

H

N

R
|
R

E

F

R

T

L

E

R

K

E

N

A

A

I

I

A

E

S

K

T

A

G

G

A

L

R

P

T

V

S

A

K

T

Y

Y

E

R

Y

L

A

V

T

Q

D

N

L

Q

E

E

S

Q

F

L

K

T

A

E

A

A

C

I

K

A

K

E

I

L

G

S

F

Y

P

P

C

S

V

V

S

L

K
|
K

P

T

I

T

M

T

S

G

-
x
Y

S
x
D

G
|
G

K

K

G

G

S
x
Q

Y

V

V

V

L

L

K

R

S

S

S

E

K

A

D

D

V

V

E

D

K

E

A

A

F

R

K

K

E

L

A

A

A

N

K

A

A

A

R

-

G

-

S

-

D

-

K

E

I

C

I

I

V

L

E

E

E

K

F
x
W

I
x
V

D

P

F
|
F

D

E

V

K

E
|
E

I

V

T

S

A

V

L

I

S

V

V

I

R

R

Y

S

L

V

N

S

G

G

K

E

G

T

K

K

P

-

E

-

S

-

K

-

F

-

V

V

R

F

P

P

L

V

G

A

-

E

H

N

Y

I

Q

H

I

V

E

N

G

N

D

I

Y

L

H

H

A

E

S

S

W

I

H

V

P

P

W

-

T

-

D

-

A

-

T

-

D

A

K

R

K

I

I

T

D

E

K

E

L

L

E

S

K

Q

E

K

I

A

Y

I

D

A

Y

Y

A

A

G

K

R

V

I

L

M

A

D

D

K

E

L

L

G

E

G

L

Y

V

G

G

L

T

F

L

A

A

H

V

E
|
E

M

M

F
|
F

V

A

D

-

T

T

K

A

N

D

G

G

K

E

V

I

Y

Y

A

I

N
|
N

E
|
E

T

L

A

A

C

P

R
|
R

P

P

H
|
H

D
x
N

T
x
S

G

G

L

H

V

Y

T

T

I

Q

A

D

S

A

M

C

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

G

L

Q

H

H

A

I

K

R

A

A

V

I

L

C

G

N

I

L

P

P

I

L

A

G

C

-

E

E

G

T

K

N

V

L

I

L

Q

K

P

P

R

-

S

-

T

V

A

V

A

M

S

V

H

N

V

I

I

L

L

G

S

E

H

H

T

I

E

E

G

G

W

V

Y

L

P

R

Q

Q

F

V

-

N

K

R

V

L

D

T

G

G

A

C

Y

Y

A

-

P

-

D

-

T

-

N

-

V

L

L

H

I

L

F

Y

G

G

K
|
K

P

E

E

E

A

A

Y

K

E

A

E

Q

R
|
R

R
x
K

L

M

G

G

V

H

V

V

L

N

A

I

T

L

A

N

G

D

T

N

V

I

E

E

D

V

A

A

K

L

K

E

K

K

A

A

Q

K

active site: Y153 (vs. gap), G155 (= G165), E255 (= E279), E268 (= E293), N275 (≠ D300), S276 (≠ T301), K348 (≠ R382)
binding adenosine-5'-triphosphate: E76 (= E86), F77 (≠ I87), R107 (= R118), K147 (= K158), Y153 (vs. gap), D154 (≠ S164), G155 (= G165), Q158 (≠ S168), W184 (≠ F199), V185 (≠ I200), F187 (= F202), E190 (= E205), E255 (= E279), F257 (= F281), N267 (= N292), E268 (= E293), R272 (= R297), H274 (= H299), N275 (≠ D300), K340 (= K374), R347 (= R381), K348 (≠ R382)
binding calcium ion: E255 (= E279), E268 (= E293)
binding phosphate ion: Q47 (= Q55), A49 (= A57)

3r5hA Crystal structure of adp-air complex of purk: n5-carboxyaminoimidazole ribonucleotide synthetase (see paper)
28% identity, 88% coverage: 25:401/426 of query aligns to 17:367/383 of 3r5hA

query
sites
3r5hA

G
|
G

E
x
Q

L
|
L

G

G

K

R

E

M

T

M

M

A

I

L

E

A

A

A

Q

K

R

E

M

M

G

G

I

Y

E

K

I

I

V

A

A

V

V

L

D

D

R

P

Y

T

A

K

N

N

S

S

P

P

G

C

M

A

Q

Q

V

V

A

A

H

D

R

I

S

E

Y

I

V

V

T

A

N

S

M

Y

K

D

S

D

E

L

R

K

A

A

L

I

L

Q

A

H

I

L

V

A

E

-

K

-

E

E

K

I

P

S

D

D

A

V

I

V

I

T

P

Y

E
|
E

I

F

E

E

A

N

I

I

N

D

T

Y

D

R

T

C

L

L

F

Q

K

W

L

L

E

E

K

K

E

H

G

A

F

Y

F

L

V

-

A

-

P

P

C

Q

A

G

N

S

A

Q

V

L

W

L

T

S

-

K

A

T

M

Q

H

N

R
|
R

E

F

R

T

L

E

R

K

E

N

A

A

I

I

A

E

S

K

T

A

G

G

A

L

R

P

T

V

S

A

K

T

Y

Y

E

R

Y

L

A

V

T

Q

D

N

L

Q

E

E

S

Q

F

L

K

T

A

E

A

A

C

I

K

A

K

E

I

L

G

S

F

Y

P

P

C

S

V

V

S

L

K
|
K

P

T

I

T

M

T

S

G

-
x
Y

S

D

G

G

K

K

G

G

S
x
Q

Y

V

V

V

L

L

K

R

S

S

S

E

K

A

D

D

V

V

E

D

K

E

A

A

F

R

K

K

E

L

A

A

A

N

K

A

A

A

R

-

G

-

S

-

D

-

K

E

I

C

I

I

V

L

E

E

E

K

F
x
W

I
x
V

D

P

F
|
F

D

E

V

K

E
|
E

I

V

T

S

A

V

L

I

S

V

V

I

R

R

Y

S

L

V

N

S

G

G

K

E

G

T

K

K

P

-

E

-

S

-

K

-

F

-

V

V

R

F

P

P

L

V

G

A

-

E

H

N

Y

I

Q

H

I

V

E

N

G
x
N

D

I

Y

L

H

H

A

E

S

S

W

I

H

V

P

P

W

-

T

-

D

-

A

-

T

-

D

A

K

R

K

I

I

T

D

E

K

E

L

L

E

S

K

Q

E

K

I

A

Y

I

D

A

Y

Y

A

A

G

K

R

V

I

L

M

A

D

D

K

E

L

L

G

E

G

L

Y

V

G

G

L

T

F

L

A

A

H

V

E

E

M

M

F
|
F

V

A

D

-

T

T

K

A

N

D

G

G

K

E

V

I

Y

Y

A

I

N
|
N

E
|
E

T

L

A

A

C

P

R
|
R

P

P

H

H

D

N

T

S

G

G

L

H

V

Y

T

T

I

Q

A

D

S

A

M

C

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

G

L

Q

H

H

A

I

K

R

A

A

V

I

L

C

G

N

I

L

P

P

I

L

A

G

C

-

E

E

G

T

K

N

V

L

I

L

Q

K

P

P

R

-

S

-

T

V

A

V

A

M

S

V

H

N

V

I

I

L

L

G

S

E

H

H

T

I

E

E

G

G

W

V

Y

L

P

R

Q

Q

F

V

-

N

K

R

V

L

D

T

G

G

A

C

Y

Y

A

-

P

-

D

-

T

-

N

-

V

L

L

H

I

L

F

Y

G

G

K
|
K

P

E

E

E

A

A

Y

K

E

A

E

Q

R
|
R

R

K

L

M

G

G

V

H

V

V

L

N

A

I

T

L

A

N

G

D

T

N

V

I

E

E

D

V

A

A

K

L

K

E

K

K

A

A

Q

K

binding adenosine-5'-diphosphate: R107 (= R118), K147 (= K158), Q158 (≠ S168), W184 (≠ F199), V185 (≠ I200), F187 (= F202), E190 (= E205), N216 (≠ G235), F257 (= F281), N267 (= N292), E268 (= E293)
binding 5-aminoimidazole ribonucleotide: G17 (= G25), Q18 (≠ E26), L19 (= L27), E76 (= E86), Y153 (vs. gap), R272 (= R297), K340 (= K374), R347 (= R381)

3ax6A Crystal structure of n5-carboxyaminoimidazole ribonucleotide synthetase from thermotoga maritima
27% identity, 88% coverage: 33:409/426 of query aligns to 18:357/360 of 3ax6A

query
sites
3ax6A

I

L

E

E

A

A

Q

K

R

K

M

M

G

G

I

F

E

Y

I

V

V

I

A

V

V

L

D

D

R

P

Y

T

A

P

N

R

S

S

P

P

G

A

M

G

Q

Q

V

V

A

A

H

D

R

E

S

Q

Y

I

V

V

T

A

N

G

M

F

K

F

S

D

E

S

R

E

A

R

L

I

L

E

A

D

I

L

V

V

E

K

K

G

E

S

K

-

P

-

D

D

A

V

I

T

P

Y

E

D

I

L

E

E

A

H

I

I

N

D

T

V

D

Q

T

T

L

L

F

K

K

K

L

L

E

Y

K

N

E

E

G

G

F

Y

F

K

V

I

A

H

P

P

C

S

A

P

N

Y

A

T

V

L

W

E

T

I

A

I

M

Q

H

D

R
x
K

E

F

R

V

L

Q

R

K

E

E

A

F

I

L

A

K

S

K

T

N

G

G

A

I

R

P

T

V

S

P

K

E

Y

Y

E

K

Y

L

A

V

T

K

D

D

L

L

E

E

S

S

F

-

K

-

A

-

A

D

C

V

K

R

K

E

I

F

G

G

F

F

P

P

C

V

V
|
V

S

Q

K
|
K

P

-

I

-

M

-

S

-

S

A

S

R

G

K

K

G

G

G

S

V

Y

F

V

I

L

I

K

K

S

N

S

E

K

K

D

D

V

L

E

E

K

N

A

A

F

I

K

K

E

-

A

-

K

-

A

-

R

-

G

-

S

-

D

G

K

E

I

T

I

Y

V

L

E
|
E

E

E

F
|
F

I
x
V

D

E

F

I

D

E

V

K

E
|
E

I

L

T

A

A

V

L

M

S

V

V

A

R

R

Y

-

L

-

N

N

G

E

K

K

G

G

K

E

P

-

E

-

S

-

K

-

F

-

V

-

R

-

P

-

L

I

G

A

H

C

Y

Y

Q

P

I

V

E

V

G

E

D

M

Y

Y

H

D

A

T

S

V

W

I

H

A

P

P

W

A

T

R

D

-

A

-

T

I

D

E

K

E

K

K

I

Y

D

S

K

K

L

I

E

A

K

R

E

E

I

I

Y

-

D

-

Y

-

A

A

G

T

R

S

I

V

M

V

D

E

K

A

L

L

G

E

G

G

Y

V

G

G

L

I

F

F

A

G

H

I

E
|
E

M

M

F
|
F

V

L

D

-

T

T

K

K

N

Q

G

G

K

E

V

I

Y

L

A

V

N
|
N

E
|
E

T

I

A

A

C

P

R

R

P

P

H

H

D
x
N

T
x
S

G

G

L

H

V

Y

T

T

I

I

A

E

S

A

M

C

P

V

F

-

G

-

Y

T

S

S

E

Q

F

F

A

E

L

Q

H

H

A

I

K

R

A

A

V

I

L

M

G

N

I

L

P

P

I

L

A

G

C

S

E

T

G

E

K

L

V

L

I

I

Q

-

P

-

R

-

S

-

T

-

A

P

A

A

S

V

H

M

V

V

I

N

L

L

S

L

H

G

T

E

E

E

G

G

W

Y

Y

Y

P

G

Q

K

F

P

K

A

V

L

D

I

G

G

-

L

-

E

A

A

Y

L

A

A

P

I

D

E

-

G

T

L

N

S

V

L

L

H

I

F

F

Y

G

G

K

K

P

K

E

E

A

T

Y

R

E

P

E

Y

R

R

R
x
K

L

M

G

G

V

H

V

F

L

T

A

V

T

V

A

D

G

R

T

D

V

V

E

E

D

R

A

A

K

L

K

E

K

K

A

A

Q

L

K

R

A

A

A

K

H

K

T

I

V

L

K

K

V

V

active site: E231 (= E279), E244 (= E293), N251 (≠ D300), S252 (≠ T301), K330 (≠ R382)
binding adenosine-5'-diphosphate: K101 (≠ R118), V136 (= V156), K138 (= K158), E164 (= E197), F166 (= F199), V167 (≠ I200), E172 (= E205), F233 (= F281), N243 (= N292)

3orqA Crystal structure of n5-carboxyaminoimidazole synthetase from staphylococcus aureus complexed with adp (see paper)
23% identity, 90% coverage: 16:398/426 of query aligns to 11:366/373 of 3orqA

query
sites
3orqA

G

G

A

A

K

T

L

I

M

G

F

I

L

I

G

G

A

G

G

G

E

Q

L

L

G

G

K

K

E

M

T

M

M

A

I

Q

E

S

A

A

Q

Q

R

K

M

M

G

G

I

Y

E

K

I

V

V

V

A

V

V

L

D

D

R

P

Y

S

A

E

N

D

S

C

P

P

G

C

M

R

Q

Y

V

V

A

A

H

H

R

E

S

F

Y

I

V

Q

T

A

N

K

M

Y

K

D

S

D

E

E

R

K

A

A

L

L

L

N

A

Q

I

L

V

-

E

-

K

G

E

Q

K

K

P

C

D

D

A

V

I

I

I

T

P

Y

E

E

I

F

E

E

A

N

I

I

N

S

T

A

D

Q

T

Q

L

L

F

-

K

K

L

L

E

L

K

C

E

E

G

K

F

Y

F

N

V

I

A

P

P

Q

C

G

A

Y

N

Q

A

A

V

I

W

Q

T

L

A

L

M

Q

H

D

R
|
R

E

L

R

T

L

E

R

K

E

E

A

T

I

L

A

K

S

S

T

A

G

G

A

T

R

K

T

V

S

V

K

P

Y

F

E

I

Y

S

A

V

T

K

D

E

L

S

E

T

S

D

F

I

K

D

A

K

A

A

C

I

K

E

K

T

I

L

G

G

F

Y

P

P

C

F

V

I

S

V

K
|
K

P

T

I

R

M

F

S

G

-
x
Y

S
x
D

G

G

K

K

G

G

S
x
Q

Y

V

V

L

L

I

K

N

S

N

S

E

K

K

D

D

V

L

E

Q

K

E

A

G

F

F

K

K

E

L

A

I

A

-

K

-

A

-

R

-

G

-

S

E

S

T

D

S

K

E

I

C

I

V

V

A

E
|
E

E

K

F
x
Y

I
x
L

D

N

F
x
I

D

K

V

K

E
|
E

I

V

T

S

A

L

L

T

S

V

V

T

R

R

Y

G

L

N

N

N

G

N

K

Q

G

-

K

-

P

-

E

-

S

-

K

-

F

-

V

-

R

-

P

-

L

I

G

T

H

F

Y

F

Q

P

I

L

E

Q

G

E

D

N

Y

E

H
|
H

A

R

S

N

W

Q

H

I

P

L

W

F

T

K

D

T

A

I

T

V

D

P

K

A

K

R

I

I

D

D

K

K

L

T

E

-

K

A

E

E

I

A

Y

K

D

E

Y

Q

A

V

G

N

R

K

I

I

M

I

D

Q

K

S

L

I

G

H

G

F

Y

I

G

G

L

T

F

F

A

T

H

V

E
|
E

M

F

F
|
F

V

I

D

D

T

S

K

-

N

N

G

N

K

Q

V

L

Y

Y

A

V

N

N

E
|
E

T

I

A

A

C

P

R

R

P

P

H

H

D
x
N

T
x
S

G

G

L

H

V

Y

T

S

I

I

A

E

S

A

M

C

P

-

F

-

G

D

Y

Y

S

S

E

Q

F

F

A

D

L

T

H

H

A

I

K

L

A

A

V

V

L

T

G

G

I

Q

P

S

I

L

A

P

C

N

E

S

G

I

K

E

V

L

I

L

Q

K

P

P

R

A

S

-

T

-

A

-

S

-

H

-

V

V

I

M

L

M

S

N

H

L

T

L

E

G

G

K

W

D

Y

L

P

D

Q

L

F

L

K

E

V

N

D

E

G

F

A

N

Y

E

A

H

P

P

D

E

T

W

N

H

V

L

L

H

I

I

F

Y

G

G

K
|
K

P

S

E

E

A

R

Y

K

E

D

E

S

R
|
R

R
x
K

L

M

G

G

V

H

V

M

L

T

A

V

T

L

A

T

G

N

T

D

V

V

E

N

D

Q

A

T

K

E

K

Q

active site: Y156 (vs. gap), E256 (= E279), E269 (= E293), N276 (≠ D300), S277 (≠ T301), K350 (≠ R382)
binding adenosine-5'-diphosphate: R110 (= R118), K150 (= K158), Y156 (vs. gap), D157 (≠ S164), Q161 (≠ S168), E185 (= E197), Y187 (≠ F199), L188 (≠ I200), I190 (≠ F202), E193 (= E205), H216 (= H238), F258 (= F281), E269 (= E293)
binding magnesium ion: E256 (= E279), E269 (= E293)
binding pyrophosphate 2-: Y156 (vs. gap), K342 (= K374), R349 (= R381)

3k5hA Crystal structure of carboxyaminoimidazole ribonucleotide synthase from asperigillus clavatus complexed with atp (see paper)
24% identity, 86% coverage: 35:401/426 of query aligns to 23:372/382 of 3k5hA

query
sites
3k5hA

A

A

Q

N

R

R

M

L

G

N

I

I

E

Q

I

V

V

N

A

V

V

L

D

D

R

-

Y

A

A

D

N

N

S

S

P

P

G

A

M

K

Q

Q

V

I

-

S

A

A

H

H

R

D

S

G

Y

H

V

V

T

T

N

G

M

S

K

F

S

K

E

E

R

R

A

E

L

A

L

V

A

R

I

Q

V

L

E

A

K

K

E

-

K

T

P

C

D

D

A

V

I

V

I

T

P

A

E

E

I

I

E

E

A

H

I

V

N

D

T

T

D

Y

T

A

L

L

F

E

K

E

L

V

E

A

K

S

E

E

G

-

F

V

F

K

V

I

A

E

P

P

C

S

A

W

N

Q

A

A

V

I

W

R

T

T

A

I

M

Q

H

N

R
x
K

E

F

R

N

L

Q

R

K

E

E

A

H

I

L

A

R

S

K

T

Y

G

G

A

I

R

P

T

M

S

A

K

-

Y

-

E

E

Y

H

A

R

T

E

D

L

L

V

E

E

S

N

F

T

K

P

A

A

A

E

C

L

K

A

K

K

I

V

G

G

-

E

-

Q

-

L

-

G

F

Y

P

P

C

L

V

M

S

L

K
|
K

P

S

-

K

I

T

M

M

S

A

S
x
Y

S
x
D

G
|
G

K

R

G

G

S
x
N

Y

F

V

R

L

V

K

N

S

S

S

Q

K

D

D

D

V

I

E

P

K

E

A

A

F

L

K

-

E

E

A

A

A

L

K

K

A

D

R

R

G

-

S

-

D

-

K

P

I

L

I

Y

V

A

E
|
E

E

K

F
x
W

I
x
A

D

Y

F
|
F

D

K

V

M

E
|
E

I

L

T

A

A

V

L

I

S

V

V

V

R

-

Y

-

L

-

N

-

G

-

K

K

G

T

K

K

P

D

E

E

S

V

K

L

F

S

V

Y

R

P

P

T

L

V

G

E

H

T

Y

V

Q

Q

I

E

E

D

G

S

D

I

Y

C

H

K

A

L

S

V

W

Y

H

A

P

P

W

A

T

R

D

N

A

V

T

S

D

-

K

-

I

-

D

D

K

A

L

I

E

N

K

Q

E

K

I

A

Y

Q

D

E

Y

L

A

A

G

R

R

K

I

A

M

V

D

A

K

A

L

F

G

D

G

G

Y

K

G

G

L

V

F

F

A

G

H

V

E
|
E

M

M

F
|
F

V

L

D

-

T

L

K

E

N

D

G

D

K

S

V

I

Y

M

A

L

N

C

E
|
E

T

I

A

A

C

S

R

R

P

I

H

H

D
x
N

T
x
S

G

G

L

H

V

Y

T

T

I

I

A

E

S

G

M

C

P

-

F

-

G

A

Y

L

S

S

E

Q

F

F

A

D

L

A

H

H

A

L

K

R

A

A

V

I

L

L

G

D

I

L

P

P

I

I

A

P

C

A

E

Q

G

S

K

L

V

E

I

I

Q

R

P

Q

R

P

S

S

T

-

A

-

S

-

H

-

V

I

I

M

L

L

S

N

H

I

T

I

E

G

G

G

W

A

Y

A

P

P

Q

D

F

T

K

H

V

L

D

Q

G

A

A

A

Y

E

A

C

-

A

-

L

-

S

-

I

P

P

D

N

T

A

N

S

V

I

L

H

I

L

F

Y

G

S

K

K

P

G

E

A

A

A

Y

K

E

P

E

G

R

R

R
x
K

L

M

G

G

V

H

V

I

L

T

A

V

T

T

A

A

G

P

T

T

V

M

E

H

D

E

A

A

K

E

K

T

K

H

A

I

Q

Q

active site: Y152 (≠ S163), G154 (= G165), E254 (= E279), E267 (= E293), N274 (≠ D300), S275 (≠ T301), K353 (≠ R382)
binding adenosine-5'-triphosphate: K104 (≠ R118), K146 (= K158), Y152 (≠ S163), D153 (≠ S164), G154 (= G165), N157 (≠ S168), E181 (= E197), W183 (≠ F199), A184 (≠ I200), F186 (= F202), E189 (= E205), E254 (= E279), F256 (= F281), E267 (= E293)
binding magnesium ion: E254 (= E279), E267 (= E293)

3k5iA Crystal structure of n5-carboxyaminoimidazole synthase from aspergillus clavatus in complex with adp and 5-aminoimadazole ribonucleotide (see paper)
24% identity, 86% coverage: 35:401/426 of query aligns to 23:372/381 of 3k5iA

query
sites
3k5iA

A

A

Q

N

R

R

M

L

G

N

I

I

E

Q

I

V

V

N

A

V

V

L

D

D

R

-

Y

A

A

D

N

N

S

S

P

P

G

A

M

K

Q

Q

V

I

-

S

A

A

H

H

R

D

S

G

Y

H

V

V

T

T

N

G

M

S

K

F

S

K

E

E

R

R

A

E

L

A

L

V

A

R

I

Q

V

L

E

A

K

K

E

-

K

T

P

C

D

D

A

V

I

V

I

T

P

A

E
|
E

I
|
I

E

E

A

H

I

V

N

D

T

T

D

Y

T

A

L

L

F

E

K

E

L

V

E

A

K

S

E

E

G

-

F

V

F

K

V

I

A

E

P

P

C

S

A

W

N

Q

A

A

V

I

W

R

T

T

A

I

M

Q

H

N

R
x
K

E

F

R

N

L

Q

R

K

E

E

A

H

I

L

A

R

S

K

T

Y

G

G

A

I

R

P

T

M

S

A

K

-

Y

-

E

E

Y

H

A

R

T

E

D

L

L

V

E

E

S

N

F

T

K

P

A

A

A

E

C

L

K

A

K

K

I

V

G

G

-

E

-

Q

-

L

-

G

F

Y

P

P

C

L

V

M

S

L

K
|
K

P

S

-

K

I

T

M

M

S

A

S
x
Y

S
x
D

G
|
G

K
x
R

G

G

S

N

Y

F

V

R

L

V

K

N

S

S

S

Q

K

D

D

D

V

I

E

P

K

E

A

A

F

L

K

-

E

E

A

A

A

L

K

K

A

D

R

R

G

-

S

-

D

-

K

P

I

L

I

Y

V

A

E

E

E

K

F
x
W

I
x
A

D

Y

F
|
F

D

K

V

M

E
|
E

I

L

T

A

A

V

L

I

S

V

V

V

R

-

Y

-

L

-

N

-

G

-

K

K

G

T

K

K

P

D

E

E

S

V

K

L

F

S

V

Y

R

P

P

T

L

V

G

E

H

T

Y

V

Q
|
Q

I

E

E

D

G
x
S

D

I

Y

C

H

K

A

L

S

V

W

Y

H

A

P

P

W

A

T

R

D

N

A

V

T

S

D

-

K

-

I

-

D

D

K

A

L

I

E

N

K

Q

E

K

I

A

Y

Q

D

E

Y

L

A

A

G

R

R

K

I

A

M

V

D

A

K

A

L

F

G

D

G

G

Y

K

G

G

L

V

F

F

A

G

H

V

E
|
E

M

M

F

F

V

L

D

-

T

L

K

E

N

D

G

D

K

S

V

I

Y

M

A

L

N

C

E
|
E

T

I

A

A

C

S

R
|
R

P

I

H

H

D
x
N

T
x
S

G

G

L

H

V

Y

T

T

I

I

A

E

S

G

M

C

P

-

F

-

G

A

Y

L

S

S

E

Q

F

F

A

D

L

A

H

H

A

L

K

R

A

A

V

I

L

L

G

D

I

L

P

P

I

I

A

P

C

A

E

Q

G

S

K

L

V

E

I

I

Q

R

P

Q

R

P

S

S

T

-

A

-

S

-

H

-

V

I

I

M

L

L

S

N

H

I

T

I

E

G

G

G

W

A

Y

A

P

P

Q

D

F

T

K

H

V

L

D

Q

G

A

A

A

Y

E

A

C

-

A

-

L

-

S

-

I

P

P

D

N

T

A

N

S

V

I

L

H

I

L

F

Y

G

S

K
|
K

P

G

E

A

A

A

Y

K

E

P

E

G

R
|
R

R
x
K

L

M

G

G

V

H

V

I

L

T

A

V

T

T

A

A

G

P

T

T

V

M

E

H

D

E

A

A

K

E

K

T

K

H

A

I

Q

Q

active site: E254 (= E279), E267 (= E293), N274 (≠ D300), S275 (≠ T301), K353 (≠ R382)
binding adenosine-5'-diphosphate: K104 (≠ R118), K146 (= K158), Y152 (≠ S163), D153 (≠ S164), G154 (= G165), W183 (≠ F199), A184 (≠ I200), F186 (= F202), E189 (= E205), Q211 (= Q232), S214 (≠ G235), E267 (= E293)
binding 5-aminoimidazole ribonucleotide: E73 (= E86), I74 (= I87), Y152 (≠ S163), D153 (≠ S164), R155 (≠ K166), R271 (= R297), K345 (= K374), R352 (= R381)
binding magnesium ion: E254 (= E279), E267 (= E293)

Sites not aligning to the query:

binding 5-aminoimidazole ribonucleotide: 13, 14, 15

3aw8A Crystal structure of n5-carboxyaminoimidazole ribonucleotide synthetase from thermus thermophilus hb8
26% identity, 65% coverage: 86:363/426 of query aligns to 66:316/360 of 3aw8A

query
sites
3aw8A

E

E

I

F

E

E

A

N

I

V

N

P

T

V

D

E

T

A

L

A

F

R

K

R

L

L

E

E

K

G

E

R

G

-

F

L

F

P

V

L

A

Y

P

P

C

P

A

A

N

K

A

A

V

L

W

E

T

V

A

A

M

Q

H

D

R

R

E

L

R

R

L

E

R

K

E

T

A

F

I

F

A

Q

S

G

T

L

G

G

A

V

R

P

T

T

S

P

K

P

Y

F

E

H

Y

P

A

V

T

D

D

G

L

P

E

E

S

D

F

L

K

E

A

E

A

G

C

L

K

K

K

R

I

V

G

G

F

L

P

P

C

A

V
x
L

S

L

K
|
K

P

-

I

-

M

-

S

-

S

T

G

R

K

R

G

G

S
x
Q

Y

A

V

L

L

V

K

R

S

T

S

E

K

E

D

E

V

A

E

L

K

E

A

A

F

L

K

K

E

-

A

A

A

L

K

G

A

G

R

R

G

G

S

-

D

-

K

-

I

L

I

I

V

L

E

E

E

G

F
|
F

I
x
V

D

P

F

F

D

D

V

R

E
|
E

I

V

T

S

A

L

L

L

S

A

V

V

R

R

Y

G

L

R

N

T

G

G

K

-

G

-

K

-

P

-

E

E

S

V

K

A

F

F

V

Y

R

P

P

L

L

V

G

E

H

N

Y

R

Q
x
H

I

W

E

G

G

G

D

I

Y

L

H

R

A

L

S

S

W

L

H

A

P

P

W

A

T

P

D

G

A

A

T

S

D

E

K

A

K

-

I

-

D

-

K

-

L

L

E

Q

K

K

E

K

I

A

Y

E

D

A

Y

Y

A

A

G

L

R

R

I

A

M

M

D

E

K

A

L

L

G

D

G

Y

Y

V

G

G

L

V

F

L

A

A

H

L

E
|
E

M

F

F
|
F

V

-

D

-

T

Q

K

V

N

G

G

E

K

E

V

L

Y

L

A

F

N

N

E
|
E

T

M

A

A

C

P

R

R

P

V

H

H

D
x
N

T
x
S

G

G

L

H

V

W

T

T

I

I

A

E

S

G

M

A

P

E

F

-

G

-

Y

T

S

S

E

Q

F

F

A

E

L

N

H

H

A

L

K

R

A

A

V

V

L

L

G

G

I

L

P

P

I

L

A

G

C

S

E

-

G

-

K

-

V

-

I

T

Q

A

P

P

R

R

S

G

T

Q

A

S

A

A

S

M

H

V

V

N

I

L

L

I

S

G

H

E

T

K

E

P

G

P

W

F

Y

A

P

E

Q

V

F

L

K

K

V

V

D

E

G

G

A

A

Y

H

active site: E240 (= E279), E252 (= E293), N259 (≠ D300), S260 (≠ T301)
binding adenosine monophosphate: L135 (≠ V156), K137 (= K158), Q142 (≠ S168), F168 (= F199), V169 (≠ I200), E174 (= E205), H197 (≠ Q232), F242 (= F281), E252 (= E293)

Sites not aligning to the query:

active site: 329

4ma0A The crystal structure of phosphoribosylaminoimidazole carboxylase atpase subunit of francisella tularensis subsp. Tularensis schu s4 in complex with partially hydrolysed atp
23% identity, 73% coverage: 18:326/426 of query aligns to 2:290/366 of 4ma0A

query
sites
4ma0A

K

K

L

I

M

G

F

I

L

I

G

G

A

A

G

G

E

Q

L

L

G

A

K

R

E

M

T

L

M

S

I

L

E

A

A

G

Q

T

R

P

M

L

G

G

I

L

E

E

I

F

V

H

A

C

V

L

D

G

R

K

Y

N

A

G

N

D

S

C

P

A

G

E

M

E

Q

V

V

V

A

-

H

-

R

-

S

K

Y

T

V

V

T

T

N

D

M

I

K

E

S

L

E

T

R

K

A

V

L

N

L

D

A

V

I

V

V

A

E

W

K

A

E

K

K

Q

P

F

D

D

A

V

I

I

I

T

P

F

E

E

I

N

E

E

A

N

I

I

N

S

T

H

D

E

T

L

L

I

F

K

K

A

L

I

E

N

K

H

E

E

G

-

F

V

F

S

V

V

A

Y

P

P

C

S

A

A

N

K

A

A

V

I

W

A

T

I

A

S

M

Q

H

D

R

R

E

L

R

L

L

E

R

K

E

S

A

F

I

M

A

Q

S

D

T

H

G

G

A

I

R

A

T

T

S

A

K

K

Y

F

E

V

Y

N

A

I

T

D

D

S

L

L

E

A

S

K

F

L

K

Q

A

S

A

A

C

V

K

D

I

H

G

G

F

L

P

P

C

A

V
x
I

S

L

K
|
K

P

T

I

R

-

R

M

F

S

G

S
x
Y

S

D

G
|
G

K

K

G

G

S

Q

Y

F

V

V

L

I

K

R

S

S

S

Q

K

E

D

D

V

I

E

T

K

K

A

A

F

W

K

D

E

-

A

-

K

V

A

L

R

K

G

D

S

A

S

P

D

D

K

G

I

L

I

I

V

Y

E
|
E

E
x
A

F
|
F

I
x
V

D

D

F

F

D

D

V

Y

E
|
E

I

V

T

S

A

Q

L

I

S

C

V

T

R

A

Y

D

L

L

N

K

G

G

K

N

G

-

K

-

P

-

E

-

S

I

K

A

F

F

V

Y

R

P

P

L

L

A

G

R

H

N

Y

T

Q
x
H

I

K

E

Q

G

G

D

I

Y

I

H

V

A

E

S

S

W

E

H

A

P

P

W

F

T

E

D

N

A

V

T

V

D

-

K

-

I

-

D

-

K

-

L

L

E

A

K

E

E

K

I

A

Y

Q

D

Q

Y

I

A

A

G

K

R

I

I

L

M

V

D

K

K

E

L

F

G

A

G

Y

Y

V

G

G

L

T

F

L

A

A

H

I

E
|
E

M

F

F
|
F

V

V

D

-

T

-

K

K

N

G

G

D

K

E

V

L

Y

I

A

V

N

N

E
|
E

T

I

A

A

C

P

R

R

P

V

H

H

D
x
N

T
x
S

G

G

L

H

V

W

T

S

I

I

A

D

S

G

M

A

P

V

F

-

G

-

Y

T

S

S

E

Q

F

F

A

E

L

N

H

H

A

V

K

R

A

A

V

I

L

A

G

G

I

L

active site: Y144 (≠ S163), G146 (= G165), E247 (= E279), E259 (= E293), N266 (≠ D300), S267 (≠ T301)
binding adenosine monophosphate: I136 (≠ V156), K138 (= K158), E175 (= E197), A176 (≠ E198), F177 (= F199), V178 (≠ I200), E183 (= E205), H206 (≠ Q232), F249 (= F281), E259 (= E293)

Sites not aligning to the query:

active site: 335

Query Sequence

>WP_012035876.1 NCBI__GCF_000063445.1:WP_012035876.1
MGITARKVLGTPYANGAKLMFLGAGELGKETMIEAQRMGIEIVAVDRYANSPGMQVAHRS
YVTNMKSERALLAIVEKEKPDAIIPEIEAINTDTLFKLEKEGFFVAPCANAVWTAMHRER
LREAIASTGARTSKYEYATDLESFKAACKKIGFPCVSKPIMSSSGKGSYVLKSSKDVEKA
FKEAAKARGSSDKIIVEEFIDFDVEITALSVRYLNGKGKPESKFVRPLGHYQIEGDYHAS
WHPWTDATDKKIDKLEKEIYDYAGRIMDKLGGYGLFAHEMFVDTKNGKVYANETACRPHD
TGLVTIASMPFGYSEFALHAKAVLGIPIACEGKVIQPRSTAASHVILSHTEGWYPQFKVD
GAYAPDTNVLIFGKPEAYEERRLGVVLATAGTVEDAKKKAQKAAHTVKVSANDKWAGQEI
TEKHYR

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