SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013010469.1 NCBI__GCF_000025725.1:WP_013010469.1 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)

1lbfA Crystal structure of indole-3-glycerol phosphate syntase (igps)with reduced 1-(o-caboxyphenylamino)-1-deoxyribulose 5-phosphate (rcdrp) (see paper)
38% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 1lbfA

query
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1lbfA

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active site: E50 (= E47), K52 (= K49), K109 (= K109), E158 (= E158), N179 (= N179), E209 (= E209), S210 (= S210)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: E50 (= E47), K52 (= K49), S55 (= S52), P56 (= P53), S57 (= S54), F88 (= F88), K109 (= K109), R181 (= R181), L183 (= L183), L186 (= L186), S210 (= S210), G211 (= G211), L230 (= L230), G232 (= G232), S233 (= S233)

Sites not aligning to the query:

binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: 7

1jukA Indole-3-glycerolphosphate synthase from sulfolobus solfataricus in a trigonal crystal form (see paper)
38% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 1jukA

query
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1jukA

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active site: E50 (= E47), K52 (= K49), K109 (= K109), E158 (= E158), N179 (= N179), E209 (= E209), S210 (= S210)
binding sulfate ion: K52 (= K49), G232 (= G232), S233 (= S233)

1igsA Indole-3-glycerolphosphate synthase from sulfolobus solfataricus at 2.0 a resolution (see paper)
38% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 1igsA

query
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1igsA

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active site: E50 (= E47), K52 (= K49), K109 (= K109), E158 (= E158), N179 (= N179), E209 (= E209), S210 (= S210)
binding phosphate ion: K52 (= K49), S210 (= S210), G232 (= G232), S233 (= S233)

1a53A Complex of indole-3-glycerolphosphate synthase from sulfolobus solfataricus with indole-3-glycerolphosphate at 2.0 a resolution (see paper)
38% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 1a53A

query
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1a53A

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active site: E50 (= E47), K52 (= K49), K109 (= K109), E158 (= E158), N179 (= N179), E209 (= E209), S210 (= S210)
binding indole-3-glycerol phosphate: E50 (= E47), K52 (= K49), F88 (= F88), K109 (= K109), E158 (= E158), N179 (= N179), E209 (= E209), S210 (= S210), G211 (= G211), G232 (= G232), S233 (= S233)

3t55A Crystal structure of mycobacterium tuberculosis indole glycerol phosphate synthase (igps) in complex with phenoxymethyl benzoic acid (pmba)
42% identity, 81% coverage: 44:248/254 of query aligns to 50:254/258 of 3t55A

query
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3t55A

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active site: E53 (= E47), K55 (= K49), K115 (= K109), E164 (= E158), N185 (= N179), E215 (= E209), S216 (= S210)
binding 3-(phenoxymethyl)benzoic acid: S58 (= S52), P59 (= P53), S60 (= S54), F94 (= F88), K115 (= K109), D116 (= D110), F117 (= F111), L136 (= L130), R187 (= R181), L189 (= L183), L192 (= L186)

3t44A Crystal structure of mycobacterium tuberculosis indole glycerol phosphate synthase (igps) in complex with indole glycerol phosphate (igp) amd anthranilate
42% identity, 81% coverage: 44:248/254 of query aligns to 50:254/259 of 3t44A

query
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3t44A

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V

V

S

S

I

I

P

P

V

V

L

L

C

R

K
|
K

D

D

F
|
F

I

V

T

Q

E

P

K

Y

Q

Q

I

I

D

H

V

E

A

A

Y

R

S

A

M

H

G

G

A

A

D

D

A

M

V

L

L

L

M

I

A

V

T

A

S

A

L

L

S

E

R

Q

E

S

D

V

Y

L

E

V

R

S

L

M

Y

L

S

D

Y

R

V

T

K

E

G

S

K

L

G

G

M

M

Q

T

A

A

L

L

V

V

E
|
E

I

V

H

H

E

T

L

E

E

Q

E

E

L

A

E

D

I

R

V

A

K

L

G

K

M

A

E

G

P

A

D

K

I

V

L

I

G

G

V

V

N
|
N

S

A

R
|
R

N

D

L
|
L

K

M

T

T

L

L

E

D

I

V

D

D

L

R

N

D

K

C

G

F

A

A

E

R

I

I

I

A

R

P

S

G

L

L

P

P

E

S

Y

S

E

V

V

I

K

R

I

I

A

A

E
|
E

S
|
S

G

G

M

V

K

R

A

G

E

T

A

A

D

D

I

L

R

L

L

A

M

Y

S

A

Q

G

A

A

G

G

A

A

K

D

G

A

F

V

L
|
L

V
|
V

G
|
G

S
x
E

S

G

L

L

M

V

G

T

A

S

D

G

D

D

P

P

A

R

G

A

V

A

F

V

A

A

S

D

L

L

active site: E53 (= E47), K55 (= K49), K115 (= K109), E164 (= E158), N185 (= N179), E215 (= E209), S216 (= S210)
binding 2-aminobenzoic acid: S58 (= S52), P59 (= P53), S60 (= S54), F94 (= F88), R187 (= R181), L189 (= L183)
binding indole-3-glycerol phosphate: E53 (= E47), K55 (= K49), F94 (= F88), K115 (= K109), F117 (= F111), E164 (= E158), N185 (= N179), E215 (= E209), S216 (= S210), L236 (= L230), V237 (= V231), G238 (= G232), E239 (≠ S233)

3t78A Crystal structure of mycobacterium tuberculosis indole glycerol phosphate synthase (igps) in complex with 5-fluoroanthranilate
42% identity, 81% coverage: 44:248/254 of query aligns to 50:252/257 of 3t78A

query
sites
3t78A

F

V

I

I

C

A

E
|
E

V

V

K
|
K

K

R

A

A

S
|
S

P
|
P

S
|
S

L

A

G

G

A

A

I

L

N

A

T

T

G

I

A

A

D

D

V

P

E

A

K

K

V

L

A

A

A

Q

V

A

Y

Y

E

Q

S

D

I

G

G

G

A

A

G

R

C

I

V

V

S

S

V

V

L

V

T

T

D

E

K

Q

E

R

F

R

F
|
F

G

Q

G

G

S

S

F

L

D

D

L

L

R

D

K

A

V

V

T

R

A

A

K

S

V

V

S

S

I

I

P

P

V

V

L

L

C

R

K
|
K

D

D

F
|
F

I

V

T

Q

E

P

K

Y

Q

Q

I

I

D

H

V

E

A

A

Y

R

S

A

M

H

G

G

A

A

D

D

A

M

V

L

L

L

M

I

A

V

T

A

S

A

L

L

S

E

R

Q

E

S

D

V

Y

L

E

V

R

S

L

M

Y

L

S

D

Y

R

V

T

K

E

G

S

K

L

G

G

M

M

Q

T

A

A

L

L

V

V

E
|
E

I

V

H

H

E

T

L

E

E

Q

E

E

L

A

E

D

I

R

V

A

K

L

G

K

M

A

E

G

P

A

D

K

I

V

L

I

G

G

V

V

N
|
N

S

A

R
|
R

N

D

L
|
L

K

M

T

T

L

L

E

D

I

R

D

D

L

C

N

F

K

-

G

-

A

A

E

R

I

I

I

A

R

P

S

G

L

L

P

P

E

S

Y

S

E

V

V

I

K

R

I

I

A

A

E
|
E

S
|
S

G

G

M

V

K

R

A

G

E

T

A

A

D

D

I

L

R

L

L

A

M

Y

S

A

Q

G

A

A

G

G

A

A

K

D

G

A

F

V

L

L

V

V

G

G

S

E

S

G

L

L

M

V

G

T

A

S

D

G

D

D

P

P

A

R

G

A

V

A

F

V

A

A

S

D

L

L

active site: E53 (= E47), K55 (= K49), K115 (= K109), E164 (= E158), N185 (= N179), E213 (= E209), S214 (= S210)
binding 2-amino-5-fluorobenzoic acid: S58 (= S52), P59 (= P53), S60 (= S54), F94 (= F88), F117 (= F111), R187 (= R181), L189 (= L183)

1piiA Three-dimensional structure of the bifunctional enzyme phosphoribosylanthranilate isomerase: indoleglycerolphosphate synthase from escherichia coli refined at 2.0 angstroms resolution (see paper)
38% identity, 93% coverage: 6:240/254 of query aligns to 4:244/452 of 1piiA

query
sites
1piiA

V

V

L

L

E

A

R

K

I

I

L

V

S

A

N

D

K

K

-

A

-

I

-

W

-

V

-

E

-

A

R

R

K

K

E

Q

I

Q

E

Q

L

P

L

L

S

A

-

S

-

F

-

Q

E

N

S

E

V

V

E

Q

E

P

R

S

T

T

K

R

P

H

L

F

L

Y

D

D

F

A

R

L

Q

Q

A

G

I

A

I

-

D

R

R

T

Q

A

F

F

I

I

C

L

E
|
E

V

C

K
|
K

K

K

A

A

S

S

P

P

S

S

L

K

G

G

A

V

I

I

N

R

T

D

G

D

A

F

D

D

V

P

E

A

K

R

V

I

A

A

V

I

Y

Y

E

K

S

H

I

Y

G

-

A

A

G

S

C

A

V

I

S

S

V

V

L

L

T

T

D

D

K

E

E

K

F

Y

F

F

G

Q

G

G

S

S

F

F

D

N

D

F

L

L

R

P

K

I

V

V

T

S

A

Q

K

I

V

A

S

P

I

Q

P

P

V

I

L

L

C

C

K
|
K

D

D

F

F

I

I

T

D

E

P

K

Y

Q

Q

I

I

D

Y

V

L

A

A

Y

R

S

Y

M

Y

G

Q

A

A

D

D

A

A

V

C

L

L

M

M

A

L

T

S

S

V

L

L

S

D

R

D

E

D

D

Q

Y

Y

E

R

R

Q

L

L

Y

A

S

A

Y

V

V

A

K

H

G

S

K

L

G

E

M

M

Q

G

A

V

L

L

V

T

E
|
E

I

V

H

S

E

N

L

E

E

E

L

Q

E

E

I

R

V

A

K

I

G

A

M

L

E

G

P

A

D

K

I

V

L

V

G

G

V

I

N
|
N

S

N

R

R

N

D

L

L

K

R

T

D

L

L

E

S

I

I

D

D

L

L

N

N

K

R

G

T

A

R

E

E

I

L

I

A

R

P

S

K

L

L

P

G

E

H

Y

N

E

V

V

T

K

V

I

I

A

S

E
|
E

S
|
S

G

G

M

I

K

N

A

T

E

Y

A

A

D

Q

I

V

R

R

L

E

M

L

S

S

Q

H

A

F

G

-

A

A

K

N

G

G

F

F

L

L

V
x
I

G
|
G

S
|
S

S

A

L

L

M

M

G

A

A

H

D

D

active site: E53 (= E47), K55 (= K49), K114 (= K109), E163 (= E158), N184 (= N179), E214 (= E209), S215 (= S210)
binding phosphate ion: K55 (= K49), S215 (= S210), I235 (≠ V231), G236 (= G232), S237 (= S233)

Sites not aligning to the query:

active site: 260, 379
binding phosphate ion: 386, 407, 427, 428

6y88B Igps (indole-3-glycerol phosphate synthase) from pseudomonas aeruginosa in complex with substrate inhibitor rcdrp (see paper)
35% identity, 94% coverage: 2:241/254 of query aligns to 13:255/265 of 6y88B

query
sites
6y88B

K

K

C

A

S

E

D

E

V

V

L

A

E

E

R

R

I

R

L

A

S

R

N

V

K

N

R

L

K

A

E

E

I

V

E

E

L

R

L

L

S

A

E

R

S

S

V

A

E

D

E

A

R

P

T

R

K

-

P

-

L

-

D

G

F

F

R

A

Q

N

A

A

I

L

D

E

R

R

Q

A

-

K

-

R

-

K

-

E

-

P

-

A

F

V

I

I

C

A

E
|
E

V

I

K
|
K

K

K

A

A

S
|
S

P
|
P

S
|
S

L

K

G

G

A

V

I

L

N

R

T

E

G

H

A

F

D

V

V

P

E

A

K

E

V

I

A

A

A

R

V

S

Y

Y

E

E

S

A

I

G

G

G

A

A

G

A

C

C

V

L

S

S

V

V

L

L

T

T

D

D

K

V

E

D

F
|
F

G

Q

G

G

S

A

F

D

D

A

D

Y

L

L

R

K

K

E

V

A

T

R

A

A

K

A

V

C

S

A

I

L

P

P

V

V

L

I

C

R

K
|
K

D

D

F

F

I

M

I

I

T

D

E

P

K

Y

Q

Q

I

I

D

V

V

E

A

A

Y

R

S

A

M

I

G

G

A

A

D

D

A

C

V

I

L

L

M

I

A

V

T

S

S

A

L

L

S

D

R

D

E

V

D

L

Y

M

E

A

R

E

L

L

Y

A

S

A

Y

T

V

A

K

K

G

S

K

V

G

G

M

L

Q

D

A

V

L

L

V

V

E
|
E

I

V

H

H

E

D

L

G

E

T

E

E

L

L

E

E

-

R

I

A

V

L

K

K

G

T

M

L

E

D

P

T

D

P

I

L

L

V

G

G

V

I

N
|
N

S

N

R
|
R

N

N

L
|
L

K

H

T

T

L

F

E

E

I

V

D

S

L

L

N

E

K

T

G

T

A

L

E

D

I

L

R

P

S

E

L

I

P

P

E

R

Y

D

E

R

V

L

K

V

I

V

A

T

E
|
E

S
|
S

G

G

M

I

K

L

A

N

E

R

A

A

D

D

I

V

R

E

L

L

M

M

S

E

Q

V

A

S

G

E

A

V

K

Y

G

A

F

F

L
|
L

V
|
V

G
|
G

S
x
E

S

A

L

F

M

M

G

R

A

A

D

D

P

P

active site: E60 (= E47), K62 (= K49), K122 (= K109), E171 (= E158), N193 (= N179), E223 (= E209), S224 (= S210)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: E60 (= E47), K62 (= K49), S65 (= S52), P66 (= P53), S67 (= S54), F101 (= F88), K122 (= K109), R195 (= R181), L197 (= L183), S224 (= S210), L244 (= L230), V245 (= V231), G246 (= G232), E247 (≠ S233)
binding glycerol: S65 (= S52), P66 (= P53), F100 (= F87)

1jcmP Trpc stability mutant containing an engineered disulphide bridge and in complex with a cdrp-related substrate (see paper)
38% identity, 94% coverage: 1:240/254 of query aligns to 1:244/259 of 1jcmP

query
sites
1jcmP

M

M

K

Q

C

C

S

-

D

-

V

V

L

L

E

A

R

K

I
|
I

L

V

S

A

N

D

K

K

-

A

-

I

-

W

-

V

-

E

-

A

R

R

K

K

E

Q

I

Q

E

Q

L

P

L

L

S

A

-

S

-

F

-

Q

E

N

S

E

V

V

E

Q

E

P

R

S

T

T

K

R

P

H

L

F

L

Y

D

D

F

A

R

L

Q

Q

A

G

I

A

I

-

D

R

R

T

Q

A

F

F

I

I

C

L

E
|
E

V

C

K
|
K

K

K

A

A

S
|
S

P
|
P

S
|
S

L

K

G

G

A

V

I

I

N

R

T

D

G

D

A

F

D

D

V

P

E

A

K

R

V

I

A

A

V

I

Y

Y

E

K

S

H

I

Y

G

-

A

A

G

S

C

A

V

I

S

S

V

V

L

L

T

T

D

D

K

E

E

K

F

Y

F
|
F

G

Q

G

G

S

S

F

F

D

N

D

F

L

L

R

P

K

I

V

V

T

S

A

Q

K

I

V

A

S

P

I

Q

P

P

V

I

L

L

C

C

K
|
K

D

D

F

F

I

I

T

D

E

P

K

Y

Q

Q

I

I

D

Y

V

L

A

A

Y

R

S

Y

M

Y

G

Q

A

A

D

D

A

A

V

C

L

L

M

M

A

L

T

S

S

V

L

L

S

D

R

D

E

D

D

Q

Y

Y

E

R

R

Q

L

L

Y

A

S

A

Y

V

V

A

K

H

G

S

K

L

G

E

M

M

Q

G

A

V

L

L

V

T

E

E

I

V

H

S

E

N

L

E

E

E

L

Q

E

E

I

R

V

A

K

I

G

A

M

L

E

G

P

A

D

K

I

V

L

V

G

G

V

I

N

N

S

N

R

R

N

D

L
|
L

K

C

T

D

L
|
L

E

S

I

I

D

D

L

L

N

N

K

R

G

T

A

R

E

E

I

L

I

A

R

P

S

K

L

L

P

G

E

H

Y

N

E

V

V

T

K

V

I

I

A

S

E

E

S
|
S

G

G

M

I

K

N

A

T

E

Y

A

A

D

Q

I

V

R
|
R

L

E

M

L

S

S

Q
x
H

A

-

G

F

A

A

K

N

G

G

F

F

L
|
L

V
x
I

G
|
G

S
|
S

S

A

L

L

M

M

G

A

A

H

D

D

binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: I8 (= I10), E53 (= E47), K55 (= K49), S58 (= S52), P59 (= P53), S60 (= S54), F93 (= F88), K114 (= K109), L188 (= L183), L191 (= L186), S215 (= S210), L234 (= L230), I235 (≠ V231), G236 (= G232), S237 (= S233)
binding phosphate ion: R224 (= R219), H228 (≠ Q223)

4iwwA Computational design of an unnatural amino acid metalloprotein with atomic level accuracy (see paper)
36% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 4iwwA

query
sites
4iwwA

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

N

Q

E

A

R

I

I

I

L

D

E

R

F

Q

N

-

K

-

R

-

N

-

I

-

T

-

A

F

I

I

I

C

A

E
|
E

V

Y

K
|
K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

-

D

-

P

-

I

-

E

V

Y

A

A

A

K

V

F

Y

M

E

E

S

R

I

Y

G

A

A

V

G

G

C

-

V

L

S

S

V

I

L

L

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

T

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

I

P

P

V

I

L

L

C

M

K
x
M

D

D

F

F

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L

L

M
x
A

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

Y

G

G

M

M

Q

E

A

P

L

L

V
x
I

E
|
E

I

I

H

T

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G

G

V
x
I

N

S

S

S

R

Q

N

D

L
x
D

K

E

T

T

L

L

E

E

I

I

D

N

L

K

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A
|
A

E
x
D

S

S

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

R

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L

L

V

I

G

G

S

S

L

L

M

M

active site: E50 (= E47), K52 (= K49), M109 (≠ K109), I157 (≠ V157), I178 (≠ V178), A208 (= A208), D209 (≠ E209)
binding cobalt (ii) ion: A132 (≠ M132), E158 (= E158), D183 (≠ L183)

3uxdA Designed protein ke59 r1 7/10h with dichlorobenzotriazole (dbt) (see paper)
36% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 3uxdA

query
sites
3uxdA

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

R

Q

E

A

R

I

I

I

L

D

E

R

F

Q

N

-

K

-

R

-

N

-

I

-

T

-

A

F

I

I

I

C

A

E

V

V

Y

K

K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

-

D

-

P

-

I

-

E

V

Y

A

A

A

K

V

F

Y

M

E

E

S

R

I

Y

G

A

A

V

G

G

C

L

V

V

S

-

V

I

L

L

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

D

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

I

P

P

V

I

L

L

C

M

K
x
W

D

D

F

F

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L
x
G

L

L

M
x
I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

Y

G

G

M

M

Q

E

A

P

L

A

V

I

E
x
V

I

I

H

N

E

D

L

E

E

E

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

I

L

I

G

I

V

I

N

S

S

S

R

R

N

D

L

L

K

E

T

T

L

L

E

E

I

I

D

N

L

K

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

A

E

A

S

S

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

R

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L
x
E

V

I

G

G

S

S

L

L

M

M

binding 5,7-dichloro-1H-benzotriazole: W109 (≠ K109), G130 (≠ L130), I132 (≠ M132), V158 (≠ E158), E230 (≠ L230)

6y88G Igps (indole-3-glycerol phosphate synthase) from pseudomonas aeruginosa in complex with substrate inhibitor rcdrp (see paper)
36% identity, 81% coverage: 35:241/254 of query aligns to 33:242/253 of 6y88G

query
sites
6y88G

F

F

R

A

Q

N

A

A

I

L

D

E

R

R

Q

A

-

K

-

R

-

K

-

E

-

P

-

A

F

V

I

I

C

A

E
|
E

V

I

K
|
K

K

K

A

A

S

S

P

P

S

S

L

K

G

G

A

V

I

L

N

R

T

E

G

H

A

F

D

V

V

P

E

A

K

E

V

I

A

A

A

R

V

S

Y

Y

E

E

S

A

I

G

G

G

A

A

G

A

C

C

V

L

S

S

V

V

L

L

T

T

D

D

K

Q

E

-

F

-

G

-

G

G

S

A

F

D

D

A

D

Y

L

L

R

K

K

E

V

A

T

R

A

A

K

A

V

C

S

A

I

L

P

P

V

V

L

I

C

R

K
|
K

D

D

F

F

I

M

I

I

T

D

E

P

K

Y

Q

Q

I

I

D

V

V

E

A

A

Y

R

S

A

M

I

G

G

A

A

D

D

A

C

V

I

L

L

M

I

A

V

T

S

S

A

L

L

S

D

R

D

E

V

D

L

Y

M

E

A

R

E

L

L

Y

A

S

A

Y

T

V

A

K

K

G

S

K

V

G

G

M

L

Q

D

A

V

L

L

V

V

E
|
E

I

V

H

H

E

D

L

G

E

T

E

E

L

L

E

E

-

R

I

A

V

L

K

K

G

T

M

L

E

D

P

T

D

P

I

L

L

V

G

G

V

I

N
|
N

S

N

R
|
R

N

N

L

L

K

H

T

T

L

F

E

E

I

V

D

S

L

L

N

E

K

T

G

T

A

L

E

D

I

L

R

P

S

E

L

I

P

P

E

R

Y

D

E

R

V

L

K

V

I

V

A

T

E
|
E

S
|
S

G

G

M

I

K

L

A

N

E

R

A

A

D

D

I

V

R

E

L

L

M

M

S

E

Q

V

A

S

G

E

A

V

K

Y

G

A

F

F

L

L

V

V

G
|
G

S
x
E

S

A

L

F

M

M

G

R

A

A

D

D

P

P

active site: E51 (= E47), K53 (= K49), K109 (= K109), E158 (= E158), N180 (= N179), E210 (= E209), S211 (= S210)
binding phosphate ion: R182 (= R181), S211 (= S210), G233 (= G232), E234 (≠ S233)

5k7jA Structure of designed zinc binding protein ze2 bound to zn2+ (see paper)
33% identity, 82% coverage: 28:236/254 of query aligns to 25:229/240 of 5k7jA

query
sites
5k7jA

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

N

Q

E

A

R

I

I

I

L

D

E

R

F

Q

N

-

K

-

R

-

N

-

I

-

T

-

A

F

I

I

I

C

A

E
|
E

V

Y

K
|
K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

V

D

A

P

A

I

V

E

Y

Y

-

S

-

K

-

F

-

M

E

E

S

R

I

Y

G

A

A

V

G

G

C

-

V

L

S

S

V

I

L

L

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

T

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

I

P

P

V

I

L

L

C

M

K
x
A

D

D

F

F

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L

L

M

I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

Y

G

G

M

M

Q

E

A

P

L

L

V

I

E
x
G

I

I

H

N

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G

G

V

I

N
x
H

S

S

R
x
H

N

N

L

K

K

E

T

N

L

-

E

-

I

-

D

-

L

-

N

-

K

-

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

A

E
x
A

S
x
H

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

R

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L

L

V

I

G

G

S

S

L

L

M

M

active site: E50 (= E47), K52 (= K49), A109 (≠ K109), G158 (≠ E158), H179 (≠ N179), A202 (≠ E209), H203 (≠ S210)
binding zinc ion: H179 (≠ N179), H181 (≠ R181), H203 (≠ S210)

4ou1A Crystal structure of a computationally designed retro-aldolase covalently bound to folding probe 1 [(6-methoxynaphthalen-2-yl) (oxiran-2-yl)methanol] (see paper)
32% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 4ou1A

query
sites
4ou1A

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

N

Q

E

A

R

I

I

I

L

D

E

R

F

Q

N

-

K

-

R

-

N

-

I

-

T

-

A

F

I

I

I

C

A

E
|
E

V

Y

K
|
K

K

R

A

K

S
x
D

P
|
P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

-

D

-

P

-

I

-

E

V

Y

A

A

A

K

V

F

Y

M

E

E

S

R

I

Y

G

A

A

V

G

G

C

L

V

F

S

-

V

I

L

S

T

T

D

E

K

E

E

K

F

Y

F
|
F

G

N

G

G

S

S

F

Y

D

E

D

T

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

I

P

P

V

I

L

L

C

M

K
x
Y

D

D

F

F

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L

A

L

L

M

I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

Y

G

G

M

M

Q

E

A

P

L

L

V

I

E
x
I

I

I

H

N

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G

G

V

I

N
x
A

S

A

R
|
R

N
x
D

L
x
W

K

E

T

T

L
x
G

E

E

I

I

D

N

L

K

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

A

E
x
K

S
x
E

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

R

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L

L

V

I

G

G

S

S

L

L

M

M

active site: E50 (= E47), K52 (= K49), Y109 (≠ K109), I158 (≠ E158), A179 (≠ N179), K209 (≠ E209), E210 (≠ S210)
binding (1S,2S)-1-(6-methoxynaphthalen-2-yl)propane-1,2-diol: D55 (≠ S52), P56 (= P53), F88 (= F88), Y109 (≠ K109), R181 (= R181), D182 (≠ N182), W183 (≠ L183), G186 (≠ L186), K209 (≠ E209), E210 (≠ S210)

3t40A Crystal structure of mycobacterium tuberculosis indole glycerol phosphate synthase (igps) complex with n-2-carboxyphenyl glycine (cpg)
38% identity, 77% coverage: 53:248/254 of query aligns to 46:240/251 of 3t40A

query
sites
3t40A

P

P

S

G

L

I

G

G

A

V

I

I

-

A

-
x
E

-

V

-
x
K

N

R

T

T

G

I

A

A

D

D

V

P

E

A

K

K

V

L

A

A

A

Q

V

A

Y

Y

E

Q

S

D

I

G

G

G

A

A

G

R

C

I

V

V

S

S

V

V

L

V

T

T

D

E

K

Q

E

R

F

R

F
|
F

G

Q

G

G

S

S

F

L

D

D

L

L

R

D

K

A

V

V

T

R

A

A

K

S

V

V

S

S

I

I

P

P

V

V

L

L

C

R

K
|
K

D
|
D

F

F

I

V

T

Q

E

P

K

Y

Q

Q

I

I

D

H

V

E

A

A

Y

R

S

A

M

H

G

G

A

A

D

D

A

M

V

L

L
|
L

L

L

M

I

A

V

T

A

S

A

L

L

S

E

R

Q

E

S

D

V

Y

L

E

V

R

S

L

M

Y

L

S

D

Y

R

V

T

K

E

G

S

K

L

G

G

M

M

Q

T

A

A

L

L

V

V

E
|
E

I

V

H

H

E

T

L

E

E

Q

E

E

L

A

E

D

I

R

V

A

K

L

G

K

M

A

E

G

P

A

D

K

I

V

L

I

G

G

V

V

N
|
N

S

A

R

R

N

D

L

-

K

-

T

-

L

-

E

-

I

V

D

D

L

R

N

D

K

C

G

F

A

A

E

R

I

I

I

A

R

P

S

G

L

L

P

P

E

S

Y

S

E

V

V

I

K

R

I

I

A

A

E
|
E

S
|
S

G

G

M

V

K

R

A

G

E

T

A

A

D

D

I

L

R

L

L

A

M

Y

S

A

Q

G

A

A

G

G

A

A

K

D

G

A

F

V

L

L

V

V

G

G

S

E

S

G

L

L

M

V

G

T

A

S

D

G

D

D

P

P

A

R

G

A

V

A

F

V

A

A

S

D

L

L

active site: E53 (vs. gap), K55 (vs. gap), K106 (= K109), E155 (= E158), N176 (= N179), E201 (= E209), S202 (= S210)
binding 2-[(carboxymethyl)amino]benzoic acid: E53 (vs. gap), K55 (vs. gap), F85 (= F88), K106 (= K109), D107 (= D110), L127 (= L130), E155 (= E158)

3uzjA Designed protein ke59 r13 3/11h with benzotriazole (see paper)
32% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 3uzjA

query
sites
3uzjA

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

K

Q

E

A

R

I

I

I

L

-

E

-

F

D

N

R

K

Q

R

F

N

I

I

C

T

E

A

V

I

-

M

-

A

-

V

-

Y

K

K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

V

D

A

P

A

I

V

E

Y

Y

E

A

S

K

I

F

-

M

-

E

-

R

G

G

A

V

G

V

C

G

V

L

S

A

V

I

L

L

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

D

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

V

P

P

V

I

L

L

C

M

K
x
W

D

D

F

I

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L

G

L

L

M
x
I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

L

G

G

M

M

Q

E

A

P

L

A

V

I

E
x
V

I

I

H

H

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G
x
I

V

I

N

T

S

S

R

H

N

D

L

L

K

E

T

T

L

L

E

E

I

I

D

N

L

N

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

V

E

A

S

S

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

Y

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L
x
E

V

I

G

G

S

T

S

S

L

L

M

M

binding 1H-benzotriazole: W109 (≠ K109), I132 (≠ M132), V158 (≠ E158), I177 (≠ G177), E230 (≠ L230)

3uz5A Designed protein ke59 r13 3/11h (see paper)
32% identity, 82% coverage: 28:236/254 of query aligns to 25:236/247 of 3uz5A

query
sites
3uz5A

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

K

Q

E

A

R

I

I

I

L

-

E

-

F

D

N

R

K

Q

R

F

N

I

I

C

T

E

A

V

I

-

M

-

A

-

V

-

Y

K

K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

V

D

A

P

A

I

V

E

Y

Y

E

A

S

K

I

F

-

M

-

E

-

R

G

G

A

V

G

V

C

G

V

L

S

A

V

I

L

L

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

D

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

V

P

P

V

I

L

L

C

M

K
x
W

D

D

F

I

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L
x
G

L

L

M
x
I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

L

G

G

M

M

Q

E

A

P

L

A

V

I

E
x
V

I

I

H

H

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G

I

V

I

N

T

S

S

R

H

N

D

L

L

K

E

T

T

L

L

E

E

I

I

D

N

L

N

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

V

E

A

S

S

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

Y

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L
x
E

V

I

G

G

S

T

S

S

L

L

M

M

binding 5,7-dichloro-1H-benzotriazole: W109 (≠ K109), G130 (≠ L130), I132 (≠ M132), V158 (≠ E158), E230 (≠ L230)

7etxA Crystal structure of bifunctional indole-3-glycerol phosphate synthase / phosphoribosylanthranilate isomerase (trpc) from corynebacterium glutamicum (see paper)
34% identity, 93% coverage: 6:240/254 of query aligns to 6:247/472 of 7etxA

query
sites
7etxA

V

V

L

L

E

E

R

S

I

I

L

V

S

E

N

G

K

R

R

R

K

G

E

H

I

L

E

E

L

E

L

I

S

R

-

A

-

R

-

I

-

A

-

H

-

V

-

D

-

V

E

D

S

A

V

L

E

P

E

K

R

S

T
|
T

K

R

P

S

L

L

L

F

D

D

-

S

F

L

R

N

Q

Q

A

G

I

R

I

G

D

G

R

A

Q

R

F

F

I

I

C

M

E

E

V

C

K

K

K

S

A

A

S

S

P

P

S

S

L

L

G

G

A

M

I

I

N

R

T

E

G

H

A

Y

D

Q

V

P

E

G

K

E

V

I

A

A

A

R

V

V

Y

Y

E

S

S

R

I

Y

G

A

A

S

G

G

C

-

V

I

S

S

V

V

L

L

T

C

D

E

K

P

E

D

F

R

F

F

G

G

S

D

F

Y

D

D

D

H

L

L

R

A

K

T

V

V

T

A

A

A

K

T

V

S

S

H

I

L

P

P

V

V

L

L

C

C

K

K

D

D

F

F

I

I

T

D

E

P

K

V

Q

Q

I

V

D

H

V

A

A

A

Y
x
R

S

Y

M

F

G

G

A

A

D
|
D

A

A

V

I

L

L

M

M

A

L

T

S

S

V

L

L

S

D

R

D

E

E

D

E

Y

Y

E

A

R

A

L

L

Y

A

S

A

Y

E

V

A

K

A

G

R

K

F

G

D

M

L

Q

D

A

I

L

L

V

T

E

E

I

V

H

I

E

D

L

E

E

E

L

V

E

A

I

R

V

A

K

I

G

K

M

L

E

G

P

A

D

K

I

I

L

F

G

G

V

V

N

N

S

H

R

R

N

N

L

L

K

H

T

D

L

L

E

S

I

I

D

D

L

L

N

D

K

R

G

S

A

R

E

R

I

L

I

S

R

K

S

L

L

I

P

P

E

A

Y

D

E

A

V

V

K

L

I

V

A

S

E

E

S

S

G

G

M

V

K

R

A

D

E

T

A

E

D

T

I

V

R

R

L

Q

M

L

S

G

Q

-

A

G

G

H

A

S

K

N

G

A

F

F

L

L

V

V

G

G

S

S

S

Q

L

L

M

T

G

S

A

Q

D

E

D

N

binding glycerol: T37 (= T29), R130 (≠ Y122), D135 (= D127)

Sites not aligning to the query:

binding glycerol: 336, 338, 364, 365, 367

3nz1A Crystal structure of kemp elimination catalyst 1a53-2 complexed with transition state analog 5-nitro benzotriazole (see paper)
32% identity, 82% coverage: 28:236/254 of query aligns to 25:236/249 of 3nz1A

query
sites
3nz1A

R

R

T

Q

K

R

P

P

L

I

D

S

F

L

R

N

Q

E

A

R

I

I

I

L

D

E

R

F

Q

N

-

K

-

R

-

N

-

I

-

T

-

A

F

I

I

I

C

A

E
x
A

V

Y

K
|
K

K

R

A

K

S

S

P

P

S

S

L

-

G

-

A

-

I

-

N

-

T

-

G

G

A

L

D

D

V

V

E

E

K

R

V

D

A

P

A

I

V

E

Y

Y

-

S

-

K

-

F

-

M

E

E

S

R

I

Y

G

A

A

V

G

G

C

-

V

L

S
x
A

V

I

L

A

T

T

D

E

K

E

E

K

F

Y

F

F

G

N

G

G

S

S

F

Y

D

E

D

T

L

L

R

R

K

K

V

I

T

A

A

S

K

S

V

V

S

S

I

I

P

P

V

I

L

L

C

M

K
x
W

D

D

F

F

I

I

I

V

T

K

E

E

K

S

Q

Q

I

I

D

D

V

D

A

A

Y

Y

S

N

M

L

G

G

A

A

D

D

A

T

V

V

L

A

L

L

M

I

A

V

T

K

S

I

L

L

S

T

R

E

E

R

D

E

Y

L

E

E

R

S

L

L

Y

L

S

E

Y

Y

V

A

K

R

G

S

K

Y

G

G

M

M

Q

E

A

P

L

A

V

I

E
x
V

I

I

H

N

E

D

L

E

E

N

E

D

L

L

E

D

I

I

V

A

K

L

G

R

M

I

E

G

P

A

D

R

I

F

L

I

G
x
E

V

I

N
x
A

S

S

R

R

N

D

L

L

K

E

T

T

L

L

E

E

I

I

D

N

L

K

N

E

K

N

G

Q

A

R

E

K

I

L

I

I

R

S

S

M

L

I

P

P

E

S

Y

N

E

V

V

V

K

K

I

V

A

A

E
x
W

S
x
Q

G

G

M

I

K

S

A

E

E

R

A

N

D

E

I

I

R

E

L

E

M

L

S

R

Q

K

A

L

G

G

A

V

K

N

G

A

F

F

L

G

V

I

G

G

S

S

L

L

M

M

active site: A50 (≠ E47), K52 (= K49), W109 (≠ K109), V158 (≠ E158), A179 (≠ N179), W209 (≠ E209), Q210 (≠ S210)
binding 5-nitro-1H-benzotriazole: K52 (= K49), A80 (≠ S80), W109 (≠ K109), E177 (≠ G177), W209 (≠ E209), Q210 (≠ S210)

Query Sequence

>WP_013010469.1 NCBI__GCF_000025725.1:WP_013010469.1
MKCSDVLERILSNKRKEIELLSESVEERTKPLLDFRQAIIDRQFICEVKKASPSLGAINT
GADVEKVAAVYESIGAGCVSVLTDKEFFGGSFDDLRKVTAKVSIPVLCKDFIITEKQIDV
AYSMGADAVLLMATSLSREDYERLYSYVKGKGMQALVEIHELEELEIVKGMEPDILGVNS
RNLKTLEIDLNKGAEIIRSLPEYEVKIAESGMKAEADIRLMSQAGAKGFLVGSSLMGADD
PAGVFASLRSGLCS

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