SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BPHYT_RS18565 FitnessBrowser__BFirm:BPHYT_RS18565 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)

P0ACC7 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Escherichia coli (strain K12) (see 6 papers)
56% identity, 100% coverage: 1:452/453 of query aligns to 6:456/456 of P0ACC7

query
sites
P0ACC7

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LAAG 11:14 (= LAAG 6:9) binding
G14 (= G9) mutation to A: 8-fold decrease in uridyltransferase activity. Creates steric conflict and decreases affinity for UTP.
R18 (= R13) mutation to A: Dramatically impairs the uridyltransferase activity.
K25 (= K20) mutation to A: 8-fold decrease in uridyltransferase activity.
Q76 (= Q71) binding
GT 81:82 (= GT 76:77) binding
YGD 103:105 (= YGD 98:100) binding
D105 (= D100) binding ; binding
G140 (= G135) binding
E154 (= E150) binding
N169 (= N165) binding
N227 (= N223) binding ; binding
230:250 (vs. 226:246, 48% identical) Linker
251:456 (vs. 247:452, 62% identical) N-acetyltransferase
C296 (= C292) mutation to A: No effect.
C307 (≠ T303) mutation to A: 1350-fold decrease in acetyltransferase activity.
C324 (≠ A320) mutation to A: 8-fold decrease in acetyltransferase activity.
R333 (= R329) binding
K351 (= K347) binding
Y366 (= Y362) binding
N377 (= N373) binding
A380 (= A376) binding
C385 (= C381) mutation to A: No effect.
S405 (= S401) binding
A423 (= A419) binding
R440 (≠ D436) binding

Sites not aligning to the query:

1:229 Pyrophosphorylase

2oi6B E. Coli glmu- complex with udp-glcnac, coa and glcn-1-po4 (see paper)
56% identity, 99% coverage: 1:450/453 of query aligns to 4:452/452 of 2oi6B

query
sites
2oi6B

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active site: R16 (= R13)
binding coenzyme a: G402 (= G400), S403 (= S401), A420 (= A418), A421 (= A419), R438 (≠ D436)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: H361 (= H359), N375 (= N373)
binding magnesium ion: D103 (= D100), N225 (= N223)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L6), A10 (= A7), A11 (= A8), G12 (= G9), Q74 (= Q71), Q77 (= Q74), G79 (= G76), T80 (= T77), Y101 (= Y98), D103 (= D100), Y137 (= Y134), G138 (= G135), E152 (= E150), N167 (= N165), T168 (= T166), T197 (= T195), N225 (= N223)

2oi7A E. Coli glmu- complex with udp-glcnac, desulpho-coa and glcnac-1-po4 (see paper)
56% identity, 99% coverage: 1:448/453 of query aligns to 3:449/449 of 2oi7A

query
sites
2oi7A

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A

V

L

A

K

A

D

P

D

D

N

V

L

Q

N

F

W

A

V

V

L

Q
|
Q

E

A

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

A

P

D

S

D

A

E

P

D

T

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

R

S

A

V

G

E

T

T

L

L

Q

Q

A

R

L

L

T

R

E

D

R

A

A

K

G

P

Q

Q

G

G

G

G

Y

I

G

G

V

L

L

L

T

T

V

V

T

K

L

L

A

D

D

D

P

P

S

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

D

E

A

-

Q

N

G

G

K

K

V

V

A

T

R

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

T

T

P

D

E

E

Q

Q

L

R

E

Q

I

I

A

Q

E

E

I

I

N
|
N

T

T

G

G

I

I

I

L

V

I

A

A

P

N

T

G

E

A

R

D

L

M

G

K

R

R

W

W

L

L

A

A

A

K

L

L

K

T

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

I

T
|
T

D

D

A

I

V

I

E

A

M

L

A

A

I

Y

E

Q

A

E

G

G

L

R

E

E

V

I

V

V

T

A

T

V

Q

H

P

P

E

Q

D

R

E

L

W

S

E

E

T

V

L

E

G

G

V

V

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

S

E

R

L

L

E

E

R

R

I

V

H

Y

Q

Q

H

S

N

E

V

Q

A

A

D

E

A

K

L

L

L

L

V

L

A

A

G

G

V

V

T

M

L

L

A

R

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

T

C

H

G

G

R

R

D

D

V

V

S

E

I

I

D

D

V

T

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

T

L

L

A

G

D

H

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

I

R

K

D

N

A

S

N

V

I

I

G

G

A

D

G

D

T

C

R

E

V

I

D

S

A

P

F

Y

T

T

H

V

I

V

E

E

G

D

A

A

E

N

V

L

G

A

A

A

N

A

A

C

V

T

L

I

G

G

P

P

Y

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

L

D

E

E

G

S

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

M

K

K

N

K

A

A

V

R

L

L

G

G

R

K

G

G

S

S

K
|
K

A

A

N

G

H
|
H

L

L

T

T

Y

Y

I

L

G

G

D

D

S

A

D

E

I

I

G

G

A

D

R

N

V

V

N
|
N

I

I

G

G

A
|
A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

K

G

R

K

G

G

A

A

T

T

I

I

A
|
A

A
|
A

G

G

T

T

T

T

V

V

W

T

K

R

D

N

V

V

E

G

A

E

D

N

A

A

L

L

V

A

L

I

N

S

D
x
R

K

V

T

P

Q

Q

T

T

S

Q

K

K

T

E

G

G

Y

W

V

R

R

R

P

P

active site: R15 (= R13)
binding desulfo-coenzyme a: G401 (= G400), S402 (= S401), A419 (= A418), A420 (= A419), R437 (≠ D436)
binding 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: K357 (= K356), H360 (= H359), N374 (= N373), A377 (= A376)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L6), A10 (= A8), G11 (= G9), Q73 (= Q71), Q76 (= Q74), G78 (= G76), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), G137 (= G135), E151 (= E150), N166 (= N165), T196 (= T195)

2oi5A E. Coli glmu- complex with udp-glcnac and acetyl-coa (see paper)
56% identity, 99% coverage: 1:448/453 of query aligns to 3:449/449 of 2oi5A

query
sites
2oi5A

M

M

N

S

I

V

V

V

I

I

L
|
L

A

A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

L

A

A

G

G

Q

K

P

A

L

M

L

V

A

Q

H

H

V

V

I

I

D

D

T

A

A

A

R

N

T

E

L

L

K

G

P

A

T

A

H

H

L

V

V

H

V

L

V

V

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

L

R

K

K

Q

A

A

V

L

A

K

A

D

P

D

D

N

V

L

Q

N

F

W

A

V

V

L

Q
|
Q

E

A

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

A

P

D

S

D

A

E

P

D

T

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

R

S

A

V

G

E

T

T

L

L

Q

Q

A

R

L

L

T

R

E

D

R

A

A

K

G

P

Q

Q

G

G

G

G

Y

I

G

G

V

L

L

L

T

T

V

V

T

K

L

L

A

D

D

D

P

P

S

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

D

E

A

-

Q

N

G

G

K

K

V

V

A

T

R

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

T

T

P

D

E

E

Q

Q

L

R

E

Q

I

I

A

Q

E

E

I

I

N
|
N

T

T

G

G

I

I

I

L

V

I

A

A

P

N

T

G

E

A

R

D

L

M

G

K

R

R

W

W

L

L

A

A

A

K

L

L

K

T

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y
|
Y

L

I

T
|
T

D

D

A

I

V

I

E

A

M

L

A

A

I

Y

E

Q

A

E

G

G

L

R

E

E

V

I

V

V

T

A

T

V

Q

H

P

P

E

Q

D

R

E

L

W

S

E

E

T

V

L

E

G

G

V

V

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

S

E

R

L

L

E

E

R

R

I

V

H

Y

Q

Q

H

S

N

E

V

Q

A

A

D

E

A

K

L

L

L

L

V

L

A

A

G

G

V

V

T

M

L

L

A

R

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

T

C

H

G

G

R

R

D

D

V

V

S

E

I

I

D

D

V

T

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

T

L

L

A

G

D

H

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

I

R

K

D

N

A

S

N

V

I

I

G

G

A

D

G

D

T

C

R

E

V

I

D

S

A

P

F

Y

T

T

H

V

I

V

E

E

G

D

A

A

E

N

V

L

G

A

A

A

N

A

A

C

V

T

L

I

G

G

P

P

Y

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

L

D

E

E

G

S

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

M

K

K

N

K

A

A

V

R

L

L

G

G

R

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

T

Y

Y

I

L

G

G

D

D

S

A

D

E

I

I

G

G

A

D

R

N

V

V

N

N

I

I

G
|
G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F
|
F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

K

G

R

K

G

G

A

A

T

T

I

I

A
|
A

A
|
A

G

G

T

T

T

T

V

V

W

T

K

R

D

N

V

V

E

G

A

E

D

N

A

A

L

L

V

A

L

I

N

S

D
x
R

K

V

T

P

Q

Q

T

T

S

Q

K

K

T

E

G

G

Y

W

V

R

R

R

P

P

active site: R15 (= R13)
binding acetyl coenzyme *a: G376 (= G375), F399 (= F398), G401 (= G400), S402 (= S401), A419 (= A418), A420 (= A419), R437 (≠ D436)
binding uridine-diphosphate-n-acetylglucosamine: L8 (= L6), A10 (= A8), G11 (= G9), Q73 (= Q71), Q76 (= Q74), G78 (= G76), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), G137 (= G135), E151 (= E150), N166 (= N165), Y194 (= Y193), T196 (= T195)

1hv9B Structure of e. Coli glmu: analysis of pyrophosphorylase and acetyltransferase active sites (see paper)
56% identity, 99% coverage: 1:448/453 of query aligns to 4:450/450 of 1hv9B

query
sites
1hv9B

M

M

N

S

I

V

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

L

A

A

G

G

Q

K

P

A

L

M

L

V

A

Q

H

H

V

V

I

I

D

D

T

A

A

A

R

N

T

E

L

L

K

G

P

A

T

A

H

H

L

V

V

H

V

L

V

V

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

L

R

K

K

Q

A

A

V

L

A

K

A

D

P

D

D

N

V

L

Q

N

F

W

A

V

V

L

Q
|
Q

E

A

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

G

H

H

A

A

V

M

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

A

P

D

S

D

A

E

P

D

T

I

L

L

V

M

L

L

Y
|
Y

G

G

D
|
D

V

V

P

P

L

L

T

I

R

S

A

V

G

E

T

T

L

L

Q

Q

A

R

L

L

T

R

E

D

R

A

A

K

G

P

Q

Q

G

G

G

G

Y

I

G

G

V

L

L

L

T

T

V

V

T

K

L

L

A

D

D

D

P

P

S

T

G

G

Y
|
Y

G
|
G

R

R

I

I

V

T

R

R

D

E

A

-

Q

N

G

G

K

K

V

V

A

T

R

G

I

I

V

V

E
|
E

Q

H

K

K

D

D

A

A

T

T

P

D

E

E

Q

Q

L

R

E

Q

I

I

A

Q

E

E

I

I

N
|
N

T

T

G

G

I

I

I

L

V

I

A

A

P

N

T

G

E

A

R

D

L

M

G

K

R

R

W

W

L

L

A

A

A

K

L

L

K

T

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

I

T
|
T

D

D

A

I

V

I

E

A

M

L

A

A

I

Y

E

Q

A

E

G

G

L

R

E

E

V

I

V

V

T

A

T

V

Q

H

P

P

E

Q

D

R

E

L

W

S

E

E

T

V

L

E

G

G

V

V

N
|
N

S

N

K

R

Q

L

Q

Q

L

L

A

S

E

R

L

L

E

E

R

R

I

V

H

Y

Q

Q

H

S

N

E

V

Q

A

A

D

E

A

K

L

L

L

L

V

L

A

A

G

G

V

V

T

M

L

L

A

R

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

T

C

H

G

G

R

R

D

D

V

V

S

E

I

I

D

D

V

T

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

T

L

L

A

G

D

H

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

I

R

K

D

N

A

S

N

V

I

I

G

G

A

D

G

D

T

C

R

E

V

I

D

S

A

P

F

Y

T

T

H

V

I

V

E

E

G

D

A

A

E

N

V

L

G

A

A

A

N

A

A

C

V

T

L

I

G

G

P

P

Y

F

A

A

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

L

D

E

E

G

S

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

M

K

K

N

K

A

A

V

R

L

L

G

G

R

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

T

Y

Y

I

L

G

G

D

D

S

A

D

E

I

I

G

G

A

D

R

N

V

V

N

N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G
|
G

S
|
S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

K

G

R

K

G

G

A

A

T

T

I

I

A
|
A

A
|
A

G

G

T

T

T

T

V

V

W

T

K

R

D

N

V

V

E

G

A

E

D

N

A

A

L

L

V

A

L

I

N

S

D
x
R

K

V

T

P

Q

Q

T

T

S

Q

K

K

T

E

G

G

Y

W

V

R

R

R

P

P

active site: R16 (= R13)
binding cobalt (ii) ion: D103 (= D100), N225 (= N223)
binding coenzyme a: G402 (= G400), S403 (= S401), A420 (= A418), A421 (= A419), R438 (≠ D436)
binding uridine-diphosphate-n-acetylglucosamine: L9 (= L6), A10 (= A7), A11 (= A8), G12 (= G9), Q74 (= Q71), Q77 (= Q74), G79 (= G76), T80 (= T77), Y101 (= Y98), D103 (= D100), Y137 (= Y134), G138 (= G135), E152 (= E150), N167 (= N165), T197 (= T195), N225 (= N223)

Q8Z9S7 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Yersinia pestis
56% identity, 100% coverage: 1:452/453 of query aligns to 6:456/456 of Q8Z9S7

query
sites
Q8Z9S7

M

M

N

S

I

V

V

V

I

I

L

L

A

A

A

A

G

G

T

K

G

G

K

T

R

R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

P

L

L

A

A

G

G

Q

K

P

P

L

M

L

V

A

Q

H

H

V

V

I

I

D

D

T

A

A

A

R

M

T

K

L

L

K

G

P

A

T

Q

H

H

L

V

V

H

V

L

V

V

V

Y

G

G

H

H

G

G

A

G

E

E

A

L

V

L

R

K

K

K

A

T

V

L

A

A

A

D

P

P

D

S

V

L

Q

N

F

W

A

V

V

L

Q

Q

E

A

Q

E

Q

Q

L

L

G

G

T

T

G

G

H

H

A

A

V

M

Q

Q

Q

Q

A

A

L

A

P

P

L

H

L

F

D

A

P

D

S

D

A

E

P

D

T

I

L

L

V

M

L

L

Y

Y

G

G

D

D

V

V

P

P

L

L

T

I

R

S

A

V

G

D

T

T

L

L

Q

Q

A

R

L

L

T

L

E

A

R

A

A

K

G

P

Q

E

G

G

G

G

Y

I

G

G

V

L

L

L

T

T

V

V

T

K

L

L

A

D

D

N

P

P

S

S

G

G

Y

Y

G

G

R

R

I

I

V

V

R

R

D

E

A

-

Q

N

G

G

K

D

V

V

A

V

R

G

I

I

V

V

E

E

Q

H

K

K

D

D

A

A

T

S

P

D

E

A

Q

Q

L

R

E

E

I

I

A

N

E

E

I

I

N

N

T

T

G

G

I

I

I

L

V

V

A

A

P

N

T

G

E

R

R

D

L

L

G

K

R

R

W

W

L

L

A

S

A

L

L

L

K

D

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

F

Y

Y

L

I

T

T

D

D

A

I

V

I

E

A

M

L

A

A

I

H

E

A

A

D

G

G

L

K

E

K

V

I

V

A

T

T

T

V

Q

H

P

P

E

T

D

R

E

L

W

S

E

E

T

V

L

E

G

G

V

V

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

S

E

A

L

L

E

E

R

R

I

V

H

F

Q

Q

H

T

N

E

V

Q

A

A

D

E

A

K

L

L

L

L

V

L

A

A

G

G

V

V

T

M

L

L

A

L

D

D

P

P

A

S

R

R

L

F

D

D

V

L

R

R

G

G

T

E

L

L

E

T

C

H

G

G

R

R

D

D

V

I

S

T

I

I

D

D

V

T

N

N

C

V

V

I

F

I

E

E

G

G

R

H

V

V

T

I

L

L

A

G

D

D

N

R

V

V

T

R

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

C

N

V

I

I

G

G

A

D

G

D

T

S

R

E

V

I

D

S

A

P

F

Y

T

T

H

V

I

L

E

E

G

D

A

A

E

R

V

L

G

D

A

A

N

N

A

C

V

T

L

V

G

G

P

P

Y

F

A

A

R

R

L

L

R
|
R

P

P

G

G

A

A

S

E

L

L

H

A

D

E

E

G

S

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K
|
K

N

K

A

A

V

R

L

L

G

G

R

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

S

Y
|
Y

I

L

G

G

D

D

S

A

D

E

I

I

G

G

A

A

R

G

V

V

N
|
N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

V

W

T

K

R

D

D

V

V

E

A

A

E

D

N

A

E

L

L

V

V

L

I

N

S

D

R

K

V

T

K

Q

Q

T

V

S

H

K

I

T

Q

G

G

Y

W

V

K

R

R

P

P

T

V

K

K

K

K

K

K

R333 (= R329) binding
K351 (= K347) binding
Y366 (= Y362) binding
N377 (= N373) binding

P43889 Bifunctional protein GlmU; EC 2.7.7.23; EC 2.3.1.157 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see 3 papers)
52% identity, 100% coverage: 1:452/453 of query aligns to 6:456/456 of P43889

query
sites
P43889

M

L

N

S

I

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R

R

M

M

R

Y

S

S

A

D

L

L

P

P

K
|
K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q

Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G
|
G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G
|
G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E
|
E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N
|
N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L
x
E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

T

I

K

K

K

K

K

K

LAAG 11:14 (= LAAG 6:9) binding
K25 (= K20) mutation to A: No pyrophosphorylase activity.
Q76 (= Q71) binding ; mutation to A: No pyrophosphorylase activity.
GT 81:82 (= GT 76:77) binding
Y103 (= Y98) mutation to A: Reduces the pyrophosphorylase activity.
YGD 103:105 (= YGD 98:100) binding
D105 (= D100) mutation to A: No pyrophosphorylase activity.
G140 (= G135) binding
E154 (= E150) binding
N169 (= N165) binding
V223 (≠ T219) mutation to A: Reduces slightly the pyrophosphorylase activity.
E224 (≠ L220) mutation to A: Reduces the pyrophosphorylase activity.

4fceA Crystal structure of yersinia pestis glmu in complex with alpha-d- glucosamine 1-phosphate (gp1)
55% identity, 98% coverage: 1:445/453 of query aligns to 3:441/441 of 4fceA

query
sites
4fceA

M

M

N

S

I

V

V

V

I

I

L

L

A

A

A

A

G

G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

P

L

L

A

A

G

G

Q

K

P

P

L

M

L

V

A

Q

H

H

V

V

I

I

D

D

T

A

A

A

R

M

T

K

L

L

K

G

P

A

T

Q

H

H

L

V

V

H

V

L

V

V

V

Y

G

G

H

H

G

G

A

G

E

E

A

L

V

L

R

K

K

K

A

T

V

L

A

-

A

-

P

-

D

-

V

-

Q

N

F

W

A

V

V

L

Q

Q

E

A

Q

E

Q

Q

L

L

G

G

T

T

G

G

H

H

A

A

V

M

Q

Q

Q

Q

A

A

L

A

P

P

L

H

L

F

D

A

P

D

S

D

A

E

P

D

T

I

L

L

V

M

L

L

Y

Y

G

G

D

D

V

V

P

P

L

L

T

I

R

S

A

V

G

D

T

T

L

L

Q

Q

A

R

L

L

T

L

E

A

R

A

A

K

G

P

Q

E

G

G

G

G

Y

I

G

G

V

L

L

L

T

T

V

V

T

K

L

L

A

D

D

N

P

P

S

S

G

G

Y

Y

G

G

R

R

I

I

V

V

R

R

D

E

A

-

Q

N

G

G

K

D

V

V

A

V

R

G

I

I

V

V

E

E

Q

H

K

K

D

D

A

A

T

S

P

D

E

A

Q

Q

L

R

E

E

I

I

A

N

E

E

I

I

N

N

T

T

G

G

I

I

I

L

V

V

A

A

P

N

T

G

E

R

R

D

L

L

G

K

R

R

W

W

L

L

A

S

A

L

L

L

K

D

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

F

Y

Y

L

I

T

T

D

D

A

I

V

I

E

A

M

L

A

A

I

H

E

A

A

D

G

G

L

K

E

K

V

I

V

A

T

T

T

V

Q

H

P

P

E

T

D

R

E

L

W

S

E

E

T

V

L

E

G

G

V

V

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

S

E

A

L

L

E

E

R

R

I

V

H

F

Q

Q

H

T

N

E

V

Q

A

A

D

E

A

K

L

L

L

L

V

L

A

A

G

G

V

V

T

M

L

L

A

L

D

D

P

P

A

S

R

R

L

F

D

D

V

L

R

R

G

G

T

E

L

L

E

T

C

H

G

G

R

R

D

D

V

I

S

T

I

I

D

D

V

T

N

N

C

V

V

I

F

I

E

E

G

G

R

H

V

V

T

I

L

L

A

G

D

D

N

R

V

V

T

R

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

C

N

V

I

I

G

G

A

D

G

D

T

S

R

E

V

I

D

S

A

P

F

Y

T

T

H

V

I

L

E

E

G

D

A

A

E

R

V

L

G

D

A

A

N

N

A

C

V

T

L

V

G

G

P

P

Y

F

A

A

R

R

L

L

R
|
R

P

P

G

G

A

A

S

E

L

L

H

A

D

E

E

G

S

A

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K
|
K

N

K

A

A

V

R

L

L

G

G

R

K

G

G

S

S

K

K

A

A

N

G

H

H

L

L

T

S

Y
|
Y

I

L

G

G

D

D

S

A

D

E

I

I

G

G

A

A

R

G

V

V

N

N

I

I

G

G

A

A

G

G

T

T

I

I

T

T

C

C

N
|
N

Y
|
Y

D

D

G

G

A

A

N

N

K
|
K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

T

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

V

W

T

K

R

D

D

V

V

E

A

A

E

D

N

A

E

L

L

V

V

L

I

N

S

D

R

K

V

T

K

Q

Q

T

V

S

H

K

I

T

Q

G

G

Y

W

active site: R15 (= R13)
binding 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose: R325 (= R329), K343 (= K347), Y358 (= Y362), N378 (= N382), Y379 (= Y383), K384 (= K388)

2v0jA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/449 of 2v0jA

query
sites
2v0jA

M

L

N

S

I

A

V

V

I

I

L

L

A

A

A
|
A

G

G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T

V

L

E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding 5,6-dihydrouridine-5'-monophosphate: A10 (= A8), Q73 (= Q71), Q76 (= Q74), G78 (= G76), T79 (= T77), Y100 (= Y98), D102 (= D100)

4kqlA Hin glmu bound to wg578 (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4kqlA

query
sites
4kqlA

M

L

N

S

I

A

V

V

I

I

L

L

A
|
A

A
|
A

G

G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T
|
T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G
|
G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide: A9 (= A7), A10 (= A8), Q73 (= Q71), Q76 (= Q74), G78 (= G76), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), T167 (= T166), V220 (≠ T219), G222 (= G221)

4kpzA Hin glmu bound to a small molecule fragment (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4kpzA

query
sites
4kpzA

M

L

N

S

I

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V
|
V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y

Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T

V

L

E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione: L8 (= L6), A9 (= A7), A10 (= A8), G11 (= G9), V23 (= V21), Q73 (= Q71), Q76 (= Q74), G78 (= G76), D102 (= D100)

4kpxA Hin glmu bound to wg766 (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4kpxA

query
sites
4kpxA

M

L

N

S

I

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q

Q

E

T

Q

E

Q

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T
|
T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G
|
G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide: L8 (= L6), A9 (= A7), A10 (= A8), G11 (= G9), Y100 (= Y98), D102 (= D100), Y136 (= Y134), T167 (= T166), V220 (≠ T219), G222 (= G221)

4knxA Hin glmu bound to wg176 (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4knxA

query
sites
4knxA

M

L

N

S

I

A

V

V

I

I

L
|
L

A

A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T
|
T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G
|
G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid: L8 (= L6), A10 (= A8), G11 (= G9), Q73 (= Q71), Q76 (= Q74), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), T167 (= T166), V220 (≠ T219), G222 (= G221)

4knrA Hin glmu bound to wg188 (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4knrA

query
sites
4knrA

M

L

N

S

I

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q

Q

E

T

Q

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L6), A9 (= A7), A10 (= A8), G11 (= G9), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), V220 (≠ T219)

4e1kA Glmu in complex with a quinazoline compound (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 4e1kA

query
sites
4e1kA

M

L

N

S

I

A

V

V

I

I

L
|
L

A
|
A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q

Q

E

T

Q

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L
x
E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide: L8 (= L6), A9 (= A7), A10 (= A8), G11 (= G9), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), V220 (≠ T219), E221 (≠ L220)

2w0wA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 2
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 2w0wA

query
sites
2w0wA

M

L

N

S

I

A

V

V

I

I

L
|
L

A

A

A

A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q

Q

L

L

G

G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N
|
N

T
|
T

G
|
G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G
|
G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P
|
P

active site: R15 (= R13)
binding n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide: L8 (= L6), G11 (= G9), Q73 (= Q71), T79 (= T77), Y100 (= Y98), D102 (= D100), Y136 (= Y134), N166 (= N165), T167 (= T166), G168 (= G167), V220 (≠ T219), G222 (= G221), P449 (= P448)

Sites not aligning to the query:

binding n-{6-(cyclopropylmethoxy)-7-methoxy-2-[6-(2-methylpropyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]quinazolin-4-yl}-2,2,2-trifluoroethanesulfonamide: 450

2w0vA Crystal structure of glmu from haemophilus influenzae in complex with quinazoline inhibitor 1
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 2w0vA

query
sites
2w0vA

M

L

N

S

I

A

V

V

I

I

L
|
L

A

A

A

A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q

Q

E

T

Q

E

Q

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V
|
V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T
|
T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T
x
V

L

E

G
|
G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one: L8 (= L6), G11 (= G9), Y100 (= Y98), D102 (= D100), V128 (= V126), T167 (= T166), V220 (≠ T219), G222 (= G221)

Sites not aligning to the query:

binding 6-(cycloprop-2-en-1-ylmethoxy)-2-[6-(cyclopropylmethyl)-5-oxo-3,4,5,6-tetrahydro-2,6-naphthyridin-2(1h)-yl]-7-methoxyquinazolin-4(3h)-one: 450

2vd4A Structure of small-molecule inhibitor of glmu from haemophilus influenzae reveals an allosteric binding site (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 2vd4A

query
sites
2vd4A

M

L

N

S

I

A

V

V

I

I

L

L

A

A

A

A

G

G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q

Q

E

T

Q

E

Q

Q

L

L

G

G

T

T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y

Y

G

G

D

D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y
|
Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W
x
M

E

E

T
x
V

L
x
E

G

G

V

A

N

N

S

N

K

R

Q

L

Q
|
Q

L

L

A

A

E

A

L
|
L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide: Y136 (= Y134), M218 (≠ W217), V220 (≠ T219), E221 (≠ L220), Q228 (= Q227), L232 (= L231)

2v0lA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1-phosphate uridyltransferase (glmu) (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 2v0lA

query
sites
2v0lA

M

L

N

S

I

A

V

V

I

I

L

L

A

A

A
|
A

G

G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G
|
G

T
|
T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T

V

L

E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding uridine: A10 (= A8), Q73 (= Q71), Q76 (= Q74), G78 (= G76), T79 (= T77), Y100 (= Y98), D102 (= D100)

Sites not aligning to the query:

binding uridine: 450

2v0kA Characterization of substrate binding and catalysis of the potential antibacterial target n-acetylglucosamine-1- phosphate uridyltransferase (glmu) (see paper)
52% identity, 99% coverage: 1:448/453 of query aligns to 3:449/450 of 2v0kA

query
sites
2v0kA

M

L

N

S

I

A

V

V

I

I

L

L

A

A

A
|
A

G
|
G

T

K

G

G

K

T

R
|
R

M

M

R

Y

S

S

A

D

L

L

P

P

K

K

V

V

L

L

H

H

P

T

L

I

A

A

G

G

Q

K

P

P

L

M

L

V

A

K

H

H

V

V

I

I

D

D

T

T

A

A

R

H

T

Q

L

L

K

G

P

S

T

E

H

N

L

I

V

H

V

L

V

I

V

Y

G

G

H

H

G

G

A

G

E

D

A

L

V

M

R

R

K

T

A

H

V

L

A

A

A

N

P

E

D

Q

V

V

Q

N

F

W

A

V

V

L

Q
|
Q

E

T

Q

E

Q
|
Q

L

L

G
|
G

T

T

G

A

H

H

A

A

V

V

Q

Q

Q

Q

A

A

L

A

P

P

L

F

L

F

D

K

P

D

S

N

A

E

P

N

T

I

L

V

V

V

L

L

Y
|
Y

G

G

D
|
D

V

A

P

P

L

L

T

I

R

T

A

K

G

E

T

T

L

L

Q

E

A

K

L

L

T

I

E

E

R

A

A

K

G

P

Q

E

G

N

G

G

Y

I

G

A

V

L

L

L

T

T

V

V

T

N

L

L

A

D

D

N

P

P

S

T

G

G

Y

Y

G

G

R

R

I

I

V

I

R

R

D

E

A

-

Q

N

G

G

K

N

V

V

A

V

R

A

I

I

V

V

E

E

Q

Q

K

K

D

D

A

A

T

N

P

A

E

E

Q

Q

L

L

E

N

I

I

A

K

E

E

I

V

N

N

T

T

G

G

I

V

I

M

V

V

A

S

P

D

T

G

E

A

R

S

L

F

G

K

R

K

W

W

L

L

A

A

A

R

L

V

K

G

N

N

D

N

N

N

A

A

Q

Q

G

G

E

E

F

Y

Y

Y

L

L

T

T

D

D

A

L

V

I

E

A

M

L

A

A

I

N

E

Q

A

D

G

N

L

C

E

Q

V

V

V

V

T

A

T

V

Q

Q

P

A

E

T

D

D

E

V

W

M

E

E

T

V

L

E

G

G

V

A

N

N

S

N

K

R

Q

L

Q

Q

L

L

A

A

E

A

L

L

E

E

R

R

I

Y

H

F

Q

Q

H

N

N

K

V

Q

A

A

D

S

A

K

L

L

L

L

V

L

A

E

G

G

V

V

T

M

L

I

A

Y

D

D

P

P

A

A

R

R

L

F

D

D

V

L

R

R

G

G

T

T

L

L

E

E

C

H

G

G

R

K

D

D

V

V

S

E

I

I

D

D

V

V

N

N

C

V

V

I

F

I

E

E

G

G

R

N

V

V

T

K

L

L

A

G

D

D

N

R

V

V

T

K

I

I

G

G

P

T

N

G

C

C

V

V

I

L

R

K

D

N

A

V

N

V

I

I

G

G

A

N

G

D

T

V

R

E

V

I

D

K

A

P

F

Y

T

S

H

V

I

L

E

E

G

D

A

S

E

I

V

V

G

G

A

E

N

K

A

A

V

A

L

I

G

G

P

P

Y

F

A

S

R

R

L

L

R

R

P

P

G

G

A

A

S

E

L

L

H

A

D

A

E

E

S

T

H

H

V

V

G

G

N

N

F

F

V

V

E

E

V

I

K

K

N

K

A

S

V

T

L

V

G

G

R

K

G

G

S

S

K

K

A

V

N

N

H

H

L

L

T

T

Y

Y

I

V

G

G

D

D

S

S

D

E

I

I

G

G

A

S

R

N

V

C

N

N

I

I

G

G

A

A

G

G

T

V

I

I

T

T

C

C

N

N

Y

Y

D

D

G

G

A

A

N

N

K

K

F

F

R

K

T

T

I

I

I

I

E

G

D

D

D

D

V

V

F

F

V

V

G

G

S

S

D

D

T

T

Q

Q

L

L

V

V

A

A

P

P

V

V

R

K

V

V

K

A

R

N

G

G

A

A

T

T

I

I

A

G

A

A

G

G

T

T

T

T

V

I

W

T

K

R

D

D

V

V

E

G

A

E

D

N

A

E

L

L

V

V

L

I

N

T

D

R

K

V

T

A

Q

Q

T

R

S

H

K

I

T

Q

G

G

Y

W

V

Q

R

R

P

P

active site: R15 (= R13)
binding uridine-5'-diphosphate: A10 (= A8), G11 (= G9), Q73 (= Q71), Q76 (= Q74), G78 (= G76), Y100 (= Y98), D102 (= D100)

Query Sequence

>BPHYT_RS18565 FitnessBrowser__BFirm:BPHYT_RS18565
MNIVILAAGTGKRMRSALPKVLHPLAGQPLLAHVIDTARTLKPTHLVVVVGHGAEAVRKA
VAAPDVQFAVQEQQLGTGHAVQQALPLLDPSAPTLVLYGDVPLTRAGTLQALTERAGQGG
YGVLTVTLADPSGYGRIVRDAQGKVARIVEQKDATPEQLEIAEINTGIIVAPTERLGRWL
AALKNDNAQGEFYLTDAVEMAIEAGLEVVTTQPEDEWETLGVNSKQQLAELERIHQHNVA
DALLVAGVTLADPARLDVRGTLECGRDVSIDVNCVFEGRVTLADNVTIGPNCVIRDANIG
AGTRVDAFTHIEGAEVGANAVLGPYARLRPGASLHDESHVGNFVEVKNAVLGRGSKANHL
TYIGDSDIGARVNIGAGTITCNYDGANKFRTIIEDDVFVGSDTQLVAPVRVKRGATIAAG
TTVWKDVEADALVLNDKTQTSKTGYVRPTKKKS

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