SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_004687247.1 NCBI__GCF_000022745.1:WP_004687247.1 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)

1pbcA Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate, 2,4-dihydroxybenzoate and 2-hydroxy- 4-aminobenzoate and of the try222ala mutant, complexed with 2- hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring (see paper)
64% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 1pbcA

query
sites
1pbcA

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active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding 2-hydroxy-4-aminobenzoic acid: V47 (= V47), W185 (= W184), L199 (= L198), Y201 (= Y200), L210 (= L209), S212 (= S211), R214 (= R213), Y222 (= Y221), P293 (= P292), T294 (= T293)
binding flavin-adenine dinucleotide: G9 (= G9), P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q101), D159 (= D158), I164 (≠ V163), G285 (= G284), D286 (= D285), G298 (= G297)

1bf3A P-hydroxybenzoate hydroxylase (phbh) mutant with cys 116 replaced by ser (c116s) and arg 42 replaced by lys (r42k), in complex with fad and 4-hydroxybenzoic acid (see paper)
64% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 1bf3A

query
sites
1bf3A

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active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R44 (= R44), A45 (= A45), G46 (= G46), V47 (= V47), Q102 (= Q101), D159 (= D158), D286 (= D285), A296 (= A295), G298 (= G297), L299 (= L298), N300 (= N299)

P00438 p-hydroxybenzoate hydroxylase; PHBH; PHBHase; 4-hydroxybenzoate 3-monooxygenase; EC 1.14.13.2 from Pseudomonas fluorescens (see 11 papers)
64% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of P00438

query
sites
P00438

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S13 (≠ A13) binding FAD
E32 (≠ D32) binding FAD
R33 (= R33) mutation to E: Slight decrease of affinity for p-OHB and strong decrease of affinity for NADPH.; mutation to K: Slight decrease of affinity for p-OHB and NADPH.; mutation to S: Slight decrease of affinity for p-OHB and strong decrease of affinity for NADPH.
Q34 (≠ V34) mutation to K: Slight decrease of affinity for p-OHB and NADPH.; mutation to R: Slight decrease of affinity for p-OHB and NADPH.; mutation to T: Slight decrease of affinity for p-OHB and NADPH.
Y38 (= Y38) mutation to E: Slight decrease of affinity for p-OHB and strong decrease of affinity for NADPH.; mutation to F: Slight decrease of affinity for p-OHB and strong decrease of affinity for NADPH.; mutation to K: Slight decrease of affinity for p-OHB and strong decrease of affinity for NADPH.
R42 (= R42) mutation to K: 4-fold and 10-fold decrease of affinity for p-OHB and NADPH, respectively. The turnover rate of p-hydroxybenzoate hydroxylase results from impaired binding of NADPH.; mutation to S: 3-fold and 10-fold decrease of affinity for p-OHB and NADPH, respectively. The turnover rate of p-hydroxybenzoate hydroxylase results from impaired binding of NADPH. Hardly disturbs the binding of FAD.
RIRAGV 42:47 (≠ RVRAGV 42:47) binding FAD
R44 (= R44) mutation to K: Decrease of affinity for the flavin prosthetic group. It affects NADPH binding, resulting in a low yield of the charge-transfer species between reduced flavin and NADP.
Q102 (= Q101) binding FAD
C116 (≠ S115) mutation to S: Slight decrease of affinity for NADPH and p-OHB are observed.
F161 (≠ Y160) mutation to A: Decrease of affinity for NADPH.; mutation to G: Decrease of affinity for NADPH.
H162 (= H161) mutation to D: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to K: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases slightly.; mutation to N: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to R: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases slightly.; mutation to S: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to T: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to Y: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases slightly.
R166 (= R165) mutation to E: Loses the ability to bind NADPH and FAD.; mutation to K: Loses the ability to bind NADPH.; mutation to S: Loses the ability to bind NADPH.
Y201 (= Y200) binding substrate
SQR 212:214 (≠ SMR 211:213) binding substrate
R214 (= R213) mutation to K: Strong decrease of affinity for NADPH and 4-fold decrease of affinity for p-OHB are observed.
Y222 (= Y221) binding substrate; mutation to A: Results in the removal of a large side chain involving in the binding of the carboxyl group of the substrate.
R269 (= R268) mutation to D: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to K: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases slightly.; mutation to N: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to S: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases slightly.; mutation to T: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.; mutation to Y: No significant changes in affinity for p-OHB are observed. However, the affinity for NADPH decreases strongly.
D286 (= D285) binding FAD
P293 (= P292) binding substrate
LN 299:300 (= LN 298:299) binding FAD

2phhA The coenzyme analogue adenosine 5-diphosphoribose displaces fad in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation (see paper)
64% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 2phhA

query
sites
2phhA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

I
|
I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A

A

G

G

V

V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

H

G

G

V
x
I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

I

V

Q

Q

C

V

A

P

L

L

D

T

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

A

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G
|
G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K
|
K

G
|
G

L
|
L

N

N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding adenosine-5-diphosphoribose: I8 (= I8), P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), Q102 (= Q101), D159 (= D158), I164 (≠ V163), G285 (= G284), D286 (= D285), G298 (= G297), L299 (= L298)

1pdhA Crystal structure of p-hydroxybenzoate hydroxylase reconstituted with the modified fad present in alcohol oxidase from methylotrophic yeasts: evidence for an arabinoflavin (see paper)
64% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 1pdhA

query
sites
1pdhA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V

V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

I

V

Q

Q

C

V

A

P

L

L

D

T

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

A

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K
|
K

G
|
G

L

L

N

N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding arabino-flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q101), D159 (= D158), Y222 (= Y221), D286 (= D285), P293 (= P292), G298 (= G297)

1iusA P-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate at ph 5.0 (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of 1iusA

query
sites
1iusA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G
|
G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L
|
L

C

C

S
|
S

M

Q

R
|
R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A
|
A

K
|
K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding flavin-adenine dinucleotide: G11 (= G11), P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), V47 (= V47), Q102 (= Q101), D159 (= D158), D286 (= D285), A296 (= A295), K297 (= K296), G298 (= G297), L299 (= L298), N300 (= N299)
binding 4-aminobenzoic acid: Y201 (= Y200), L210 (= L209), S212 (= S211), R214 (= R213), Y222 (= Y221), P293 (= P292)

1dodA The mobil flavin of 4-oh benzoate hydroxylase: motion of a prosthetic group regulates catalysis (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of 1dodA

query
sites
1dodA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S
|
S

M

Q

R
|
R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T
|
T

G

G

A
|
A

K
|
K

G
|
G

L

L

N

N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding 2,4-dihydroxybenzoic acid: V47 (= V47), Y201 (= Y200), S212 (= S211), R214 (= R213), Y222 (= Y221), P293 (= P292), T294 (= T293), A296 (= A295)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q101), D159 (= D158), Y222 (= Y221), D286 (= D285), P293 (= P292), G298 (= G297)

1d7lA Structure-function correlations of the reaction of reduced nicotinamide analogs with p-hydroxybenzoate hydroxylase substituted with a series of 8-substituted flavins (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of 1d7lA

query
sites
1d7lA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G
|
G

S

A

G
|
G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G
|
G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

H

G

G

V
x
I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A
|
A

K
|
K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide: G9 (= G9), G11 (= G11), P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), G46 (= G46), V47 (= V47), Q102 (= Q101), D159 (= D158), I164 (≠ V163), D286 (= D285), A296 (= A295), K297 (= K296), G298 (= G297), L299 (= L298), N300 (= N299)

P20586 p-hydroxybenzoate hydroxylase; PHBH; 4-hydroxybenzoate 3-monooxygenase; EC 1.14.13.2 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see 7 papers)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of P20586

query
sites
P20586

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P

P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R

R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V
x
I

R
|
R

A
|
A

G
|
G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H

H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D

D

G

G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S
|
S

M
x
Q

R
|
R

S

S

L

A

T

T

R

R

S

S

R
|
R

Y

Y

Y
|
Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K

K

G

G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

S13 (≠ A13) binding FAD
E32 (≠ D32) binding FAD
RIRAGV 42:47 (≠ RVRAGV 42:47) binding FAD
A45 (= A45) mutation to G: The positions of the substrate and the flavin are not altered.
Q102 (= Q101) binding FAD
Y201 (= Y200) Important for catalytic activity; binding substrate; mutation to F: Reduction of hydroxylase activity.
SQR 212:214 (≠ SMR 211:213) binding substrate
R220 (= R219) mutation to Q: Lower affinity for p-OHB than the wild-type.
Y222 (= Y221) binding substrate
D286 (= D285) binding FAD
P293 (= P292) binding substrate
LN 299:300 (= LN 298:299) binding FAD
N300 (= N299) mutation to D: The side chain of Asp300 moves away from the flavin, disrupting the interactions of the carboxamide group with the flavin O(2) atom, and the alpha-helix H10 that begins at residue 297 is displaced, altering its dipole interactions with the flavin ring.
Y385 (= Y384) Important for catalytic activity; mutation to F: The positions of the substrate and the flavin are not altered.

1k0lA Pseudomonas aeruginosa phbh r220q free of p-ohb (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of 1k0lA

query
sites
1k0lA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V

V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I
x
V

T

R

P

L

H

H

D
|
D

F

L

D
x
Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G
|
G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

Q

Y

Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A
|
A

K
|
K

G
|
G

L
|
L

N

N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q101), V127 (≠ I126), D159 (= D158), G160 (= G159), D286 (= D285), A296 (= A295), G298 (= G297), L299 (= L298)
binding sulfite ion: D131 (= D130), Q133 (≠ D132)

1k0jA Pseudomonas aeruginosa phbh r220q in complex with NADPH and free of p- ohb (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/394 of 1k0jA

query
sites
1k0jA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A

A

G
|
G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I

V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

Y
x
F

H
|
H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

Q

Y

Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R
|
R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K
|
K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H72 (= H72), Y201 (= Y200), P293 (= P292), K297 (= K296), Y385 (= Y384)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), G46 (= G46), V47 (= V47), Q102 (= Q101), D159 (= D158), D286 (= D285), P293 (= P292), G298 (= G297), L299 (= L298), N300 (= N299)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R44 (= R44), F161 (≠ Y160), H162 (= H161), R269 (= R268)

8y2sA 4-hydroxybenzoate 3-monooxygenase
63% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 8y2sA

query
sites
8y2sA

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V
x
M

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

D

G

G

L

L

P

V

H

H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

M

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D

A

N

E

I
x
V

T

R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C
|
C

D
|
D

G

G

Y

F

H

H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

N

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L
|
L

C

C

S
|
S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

I

V

Q

Q

C

V

A

P

L

L

D

T

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

A

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T
|
T

G

G

A
|
A

K

K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y

Y

V

V

G

G

L

L

P

P

F

Y

binding 3-methyl-4-oxidanyl-benzoic acid: A45 (= A45), Y201 (= Y200), L210 (= L209), S212 (= S211), Y222 (= Y221), P293 (= P292), T294 (= T293), A296 (= A295)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), M47 (≠ V47), Q102 (= Q101), V127 (≠ I126), C158 (= C157), D159 (= D158), D286 (= D285), A296 (= A295), G298 (= G297), L299 (= L298), N300 (= N299)

1ykjB A45g p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound (see paper)
63% identity, 100% coverage: 1:389/389 of query aligns to 1:388/392 of 1ykjB

query
sites
1ykjB

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

I
|
I

G
|
G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

V

I

I

L

L

D
x
E

R
|
R

V

Q

S

T

E

P

N

D

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
x
G

G

G

V
|
V

L

L

E

E

E

Q

G

G

T

M

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

D

D

R

R

R

L

M

H

A

R

R

E

-

G

-

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

I

A

A

F

F

D

A

G

G

R

Q

D

R

H

R

R

R

I

I

D

D

L

L

H

K

K

R

L

L

T

S

G

G

-

G

K

K

R

T

V

V

T

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

E

E

A

R

R

H

E

R

A

S

C

G

G

A

A

H

T

G

T

I

V

Y

Y

E

Q

A

A

D
x
A

N
x
E

I

V

T
x
R

P

L

H

H

D

D

F

L

D

Q

T

G

A

E

S

R

P

P

Y

Y

V

V

T

T

Y

F

E

E

K

R

D

D

G

G

I

E

T

R

H

L

R

R

I

L

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C

C

D
|
D

G
|
G

Y

F

H
|
H

G

G

V

I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

A

K

E

A

R

I

L

R

K

I

V

F

F

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

A

D

D

I

T

P

P

V

V

D

S

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

N

H

H

E

P

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

I

V

Q

Q

C

V

A

P

L

L

D

S

E

E

K

K

V

V

E

E

D

D

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

T

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

S

H

E

H

V

A

A

E

E

A

K

M

L

V

V

T

T

G

G

P

P

S

S

F

L

E

E

K

K

T

S

I

I

A

A

P
|
P

L

L

R
|
R

S

S

F

F

V

V

A

V

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K
|
K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

S

D

D

V

V

H

S

Y

T

L

L

F

Y

E

R

G

L

L

L

R

L

E

K

F

A

Y

Y

I

R

E

E

N

G

S

R

T

G

A

E

G

L

I

L

D

E

A

R

Y

Y

S

S

A

A

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

W

M

M

T

T

K

S

M

V

L

L

H

H

R

R

F

F

P

P

D

D

M

T

G

D

P

A

F

F

D

S

Q

Q

K

R

V

I

Q

Q

E

Q

A

T

E

E

L

L

D

E

Y

Y

F

Y

C

L

N

G

S

S

Q

E

A

A

A

G

S

L

T

A

A

T

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

Y

active site: H70 (= H72), Y199 (= Y200), P291 (= P292), K295 (= K296), Y383 (= Y384)
binding flavin-adenine dinucleotide: I8 (= I8), G9 (= G9), P12 (= P12), S13 (≠ A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), G45 (≠ A45), V47 (= V47), Q100 (= Q101), D157 (= D158), G158 (= G159), D284 (= D285), P291 (= P292), G296 (= G297), L297 (= L298), N298 (= N299)
binding pyrosulfate: R33 (= R33), A123 (≠ D124), E124 (≠ N125), R126 (≠ T127), H160 (= H161), P265 (= P266), R267 (= R268)

6dllB 2.2 angstrom resolution crystal structure of p-hydroxybenzoate hydroxylase from pseudomonas putida in complex with fad. (see paper)
62% identity, 100% coverage: 1:389/389 of query aligns to 4:394/398 of 6dllB

query
sites
6dllB

M

M

R

K

T

T

K

Q

V

V

V

A

I

I

G

G

S

A

G

G

P
|
P

A
x
S

G

G

L

L

G

G

Q

Q

L

L

T

H

R

K

A

A

G

G

I

I

D

D

N

N

V

I

I

I

L

V

D
x
E

R
|
R

V

Q

S

T

E

A

N

E

Y

Y

I

V

L

L

G

G

R
|
R

V

I

R
|
R

A
|
A

G

G

V

V

L

L

E

E

E

Q

G

G

T

T

V

V

R

D

L

L

M

L

D

R

E

E

A

A

G

G

A

V

S

A

D

E

R

R

L

M

H

D

R

R

E

E

G

G

L

L

P

V

H
|
H

D

E

G

G

F

V

S

E

L

L

A

L

F

V

D

G

G

G

R

R

D

R

H

Q

R

R

I

L

D

D

L

L

H

K

K

A

L

L

T

T

G

G

-

G

K

K

R

T

V

V

T

M

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

L

V

T

T

H

R

D

D

L

L

M

M

S

Q

E

A

R

R

H

E

R

A

S

S

G

G

A

A

H

P

G

I

I

I

Y

Y

E

S

A

A

D

A

N

N

I

V

T

Q

P

P

H

H

D

E

F

L

D

K

T

G

A

E

S

K

P

P

Y

Y

V

L

T

T

Y

F

E

E

K

K

D

D

G

G

I

R

T

V

H

Q

R

R

I

I

D

D

C

C

D

D

Y

Y

I

I

A

A

G

G

C
|
C

D
|
D

G

G

Y

F

H

H

G

G

V
x
I

S

S

R

R

K

Q

S

S

V

I

P

P

Q

E

K

G

A

V

I

L

R

K

I

Q

F

Y

E

E

K

R

V

V

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

L

L

L

A

S

D

D

I

T

P

P

V

V

D

N

H

H

E

E

L

L

I

I

Y
|
Y

A

A

N

H

H

H

E

E

R

R

G

G

F

F

A

A

L

L

C

C

S

S

M

Q

R

R

S

S

L

Q

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

I

L

Q

Q

C

V

A

P

L

L

D

Q

E

D

K

R

V

V

E

E

D

E

W

W

S

S

D

D

E

E

R

R

F

F

Y

W

D

D

E

E

L

L

R

K

R

A

R

R

L

L

P

P

A

A

H

E

H

V

A

A

E

A

A

D

M

L

V

V

T

T

G

G

P

P

S

A

F

L

E

E

K

K

T

S

I

I

A

A

P

P

L

L

R

R

S

S

F

L

V

V

A

V

E

E

P

P

M

M

R

Q

F

Y

G

G

R

H

L

L

F

F

L

L

A

V

G

G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A

A

K
|
K

G
|
G

L

L

N

N

L

L

A

A

S

S

D

D

V

V

H

N

Y

Y

L

L

F

Y

E

R

G

I

L

L

R

V

E

K

F

V

Y

Y

I

H

E

E

N

G

S

R

T

V

A

D

G

L

I

L

D

A

A

Q

Y

Y

S

S

A

P

R

L

A

A

L

L

A

R

R

R

I

V

W

W

K

K

A

G

E

E

R

R

F

F

S

S

W

W

S

F

M

M

T

T

K

Q

M

L

L

L

H

H

R

D

F

F

P

G

D

S

-

H

M

K

G

D

P

A

F

W

D

D

Q

Q

K

K

V

M

Q

Q

E

E

A

A

E

D

L

R

D

E

Y

Y

F

F

C

L

N

T

S

S

Q

P

A

A

A

G

S

L

T

V

A

N

L

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

F

F

active site: H75 (= H72), Y204 (= Y200), P296 (= P292), K300 (= K296), Y389 (= Y384)
binding flavin-adenine dinucleotide: P15 (= P12), S16 (≠ A13), E35 (≠ D32), R36 (= R33), R45 (= R42), R47 (= R44), A48 (= A45), Q105 (= Q101), C161 (= C157), D162 (= D158), I167 (≠ V163), Y225 (= Y221), D289 (= D285), P296 (= P292), G301 (= G297)

7on9A Crystal structure of para-hydroxybenzoate-3-hydroxylase prai (see paper)
52% identity, 100% coverage: 1:389/389 of query aligns to 1:392/393 of 7on9A

query
sites
7on9A

M

M

R

R

T

T

K

Q

V

V

V

G

I

I

I
|
I

G

G

S

A

G
|
G

P
|
P

A
|
A

G

G

L

L

G

S

Q

H

L

L

T

Y

R

L

A

Q

G

G

I

I

D

E

N

S

V

I

I

I

L

I

D
x
E

R
x
N

V
x
R

S

T

E

R

N

E

Y

E

I

I

L

E

G

G

R

T

V

I

R
|
R

A
|
A

G
|
G

V
|
V

L

L

E

E

E

Q

G

G

T

T

V

V

R

D

L

L

M

M

D

N

E

Q

A

M

G

G

A

V

S

G

D

A

R

R

L

M

H

M

R

K

E

E

G

G

L

H

P

F

H

H

D

E

G

G

F

F

S

E

L

L

A

R

F

F

D

N

G

G

R

R

D

G

H

H

R

R

I

I

D

N

L

V

H

H

K

E

L

L

T

T

G

G

-

G

K

K

R

Y

V

V

T

T

V

V

Y

Y

G

A

Q
|
Q

T

H

E

E

L

V

T

I

H

K

D

D

L

L

M

V

S

A

E

A

R

R

H

L

R

Q

S

T

G

G

A

G

H

Q

G

I

I

H

Y

F

E

N

A

V

D

G

N

D

I

V

T

S

P

L

H

H

D

D

F

V

D

D

T

T

A

S

S

S

P

P

Y

K

V

I

T

R

Y

F

-

R

-

P

E

N

K

K

D

D

G

G

I

E

T

L

H

Q

R

E

I

I

D

E

C

C

D

D

Y

F

I

I

A

A

G

G

C

C

D
|
D

G

G

Y

F

H

R

G

G

V
x
P

S

S

R

R

K

P

S

A

V

I

P

P

Q

Q

K

S

A

V

I

R

R

K

I

E

F

Y

E

Q

K

K

V

V

Y

Y

P

P

F

F

G

S

W

W

L

L

G

G

V

I

L

L

A

V

D

E

I

A

P

P

V

S

D

A

H

H

E

E

L

L

I

I

Y

Y

A

A

N

N

H

H

E

E

R

R

G

G

F

F

A

A

L

L

C

V

S

S

M

T

R

R

S

S

L

P

T

Q

R

I

S

Q

R

R

Y

L

Y

Y

I

L

Q

Q

C

V

A

D

L

A

D

Q

E

D

K

H

V

I

E

D

D

N

W

W

S

S

D

D

E

D

R

R

F

I

Y

W

D

S

E

E

L

L

R

H

R

A

R

R

L

L

P

E

A

T

H

R

H

D

A

G

E

F

A

K

M

L

V

L

T

E

G

G

P

P

S

I

F

F

E

Q

K

K

T

G

I

I

A
x
V

P

S

L

M

R

R

S

S

F

F

V

V

A

C

E

D

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G
|
G

D
|
D

A

A

H

H

I

I

V

V

P

P

P
|
P

T

T

G

G

A
|
A

K

K

G
|
G

L
|
L

N
|
N

L

L

A

A

S

A

D

D

V

V

H

Q

Y

V

L

L

F

A

E

R

G

G

L

L

R

E

E

A

F

Y

Y

Y

I

K

E

A

N

G

S

K

T

M

A

E

G

I

I

L

D

N

A

R

Y

C

S

T

A

E

R

I

A

C

L

L

A

R

R

R

I

I

W

W

K

K

A

A

E

E

R

R

F

F

S

S

W

W

S

F

M

M

T

T

K

T

M

M

L

L

H

H

R

R

F

D

P

Q

D

G

M

H

G

T

P

P

F

F

D

E

Q

R

K

G

V

I

Q

Q

E

L

A

A

E

E

L

L

D

D

Y

Y

F

V

C

T

N

S

S

S

Q

R

A

A

S

S

T

T

A

S

L

L

A

A

E

E

N

N

Y

Y

V

I

G

G

L

L

P

P

F

M

binding flavin-adenine dinucleotide: I8 (= I8), G11 (= G11), P12 (= P12), A13 (= A13), E32 (≠ D32), N33 (≠ R33), R34 (≠ V34), R44 (= R44), A45 (= A45), G46 (= G46), V47 (= V47), Q102 (= Q101), D161 (= D158), P166 (≠ V163), V268 (≠ A265), G287 (= G284), D288 (= D285), P295 (= P292), A298 (= A295), G300 (= G297), L301 (= L298), N302 (= N299)

8jqoA Protocatecuate hydroxylase from xylophilus ampelinus complexed with imidazole (see paper)
44% identity, 100% coverage: 1:389/389 of query aligns to 1:390/391 of 8jqoA

query
sites
8jqoA

M

M

R

R

T

T

K

Q

V

V

V

G

I

I

I

V

G

G

S

A

G
|
G

P
|
P

A
|
A

G

G

L

L

L

M

L

L

G

A

Q

H

L

L

T

R

R

R

A

E

G

G

I

I

D

D

N

A

V

V

I

V

L

I

D
x
E

R
|
R

V

A

S

A

E

R

N

E

Y

H

I

V

L

R

G

T

R
|
R

V

L

R
|
R

A

A

G

G

V
|
V

L

L

E

E

E

Q

G

G

T

T

V

V

R

E

L

M

M

L

D

R

E

E

A

A

G

G

A

V

S

G

D

G

R

R

L

I

H

D

R

A

E

V

G

G

L

M

P

E

H

M

D

H

G

A

F

I

S

D

L

F

A

R

F

F

D

G

G

G

R

R

D

S

H

H

R

R

I

L

D

D

L

F

H

H

K

E

L

A

T

S

G

G

-

G

K

R

R

R

V

A

T

W

V

V

Y

Y

G

P

Q
|
Q

T

H

E

E

L

V

T

V

H

T

D

D

L

L

M

M

S

S

E

A

R

C

H

D

R

A

S

G

G

D

A

V

H

P

G

I

I

L

Y

Y

E

E

A

A

D

P

N
x
V

I

E

T

R

P

I

H

E

D

G

F

L

D

E

T

D

A

D

S

R

P

A

Y

R

V

I

T

V

Y

F

E

G

K

Q

D

D

G

G

I

A

T

A

H

G

R

E

I

I

D

T

C

C

D

D

Y

F

I

V

A

A

G

G

C

C

D
|
D

G
|
G

Y

F

H

R

G

G

V

V

S

S

R

R

K

G

S

S

V

M

P

P

Q

A

K

G

A

I

I

A

R

R

I

G

F

Y

E

D

K

R

V

I

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

I

L

L

A

A

D

D

I

A

P

P

V

A

D

S

H

P

E

D

L

V

I

T

Y

W

A

G

N

C

H

S

E

D

R

R

G

G

F

F

A

A

L

M

C

M

S

S

M

M

R

R

S

S

L

P

T

T

R

V

S

T

R

R

Y

L

Y

Y

I

L

Q

Q

C

C

A

E

L

P

D

D

E

E

K

D

V

P

E

D

D

A

W

W

S

S

D

D

E

D

R

R

F

I

Y

W

D

S

E

E

L

L

R

H

R

R

L

L

P

D

A

V

H

E

H

G

A

M

E

P

A

S

M

L

V

R

T

E

G

G

P

P

S

I

F

R

E

D

K

K

T

G

I

V

A

T

P

A

L

M

R

R

S

S

F

F

V

L

A

S

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G
|
G

D
|
D

A

A

H

H

I

I

V

V

P

P

T

T

G

G

A
|
A

K
|
K

G
|
G

L
|
L

N
|
N

L

S

A

A

A

M

S

A

D

D

V

I

H

K

Y

V

L

L

F

A

E

A

G

A

L

L

R

V

E

D

F

H

Y

Y

I

R

E

H

N

G

S

R

T

S

A

D

G

R

I

L

D

A

A

T

Y

Y

S

S

A

E

R

R

A

C

L

L

A

R

R

R

I

M

W

W

K

L

A

V

E

Q

R

R

F

F

S

S

W

A

S

A

M

L

T

C

K

T

M

M

L

V

H

H

R

Q

F

F

P

P

D

G

M

Q

G

N

P

E

F

F

D

V

Q

R

K

R

V

L

Q

Q

E

R

A

A

E

D

L

L

D

D

Y

Y

F

M

C

T

N

G

S

T

Q

H

A

A

A

G

S

R

T

L

A

Q

L

F

A

A

E

E

N

N

Y

F

V

T

G

G

L

L

P

P

F

I

binding flavin-adenine dinucleotide: G11 (= G11), P12 (= P12), A13 (= A13), E32 (≠ D32), R33 (= R33), R42 (= R42), R44 (= R44), V47 (= V47), Q102 (= Q101), V126 (≠ N125), D159 (= D158), G160 (= G159), G285 (= G284), D286 (= D285), A296 (= A295), K297 (= K296), G298 (= G297), L299 (= L298), N300 (= N299)

8weqC P-hydroxybenzoate 3-monooxygenase
46% identity, 100% coverage: 1:388/389 of query aligns to 7:393/394 of 8weqC

query
sites
8weqC

M

I

R

T

T

T

K

Q

V

V

V

A

I

I

I
x
M

G
|
G

S

A

G
|
G

P

P

A
|
A

G

G

L

L

L

M

L

L

G

S

Q

H

L

L

T

A

R

K

A

A

G

G

I

I

D

E

N

S

V

T

I

V

L
x
I

D
x
E

R
x
I

V
x
R

S

S

E

H

N

Q

Y

E

I

I

L

S

G

E

R

T

V

V

R
|
R

A

A

G

G

V
x
I

L

L

E

E

E

H

G

G

T

S

V

V

R

N

L

L

M

L

D

V

E

D

A

S

G

G

A

A

S

S

D

D

R

R

L

V

H

L

R

R

E

D

G

G

L

D

P

R

H

H

D

D

G

G

F

I

S

E

L

L

A

R

F

F

D

N

G

G

R

E

D

S

H

H

R

R

I

I

D

D

L

F

H

Q

K

D

L

L

T

V

G

G

K

E

R

S

V

V

T

W

V

L

Y

Y

G

P

Q

Q

T

T

E

D

L

V

T

F

H

L

D

D

L

L

M

A

S

A

E

R

R

R

H

Q

R

A

S

D

G

G

A

G

H

D

G

V

I

R

Y

Y

E

S

A

V

D

T

N

D

I

T

T

T

P

I

H

H

D

D

F

L

D

E

T

G

A

K

S

P

P

K

Y

V

V

W

T

F

Y

T

E

D

K

A

D

D

G

G

I

V

T

E

H

Y

R

E

I

L

D

Q

C

A

D

D

Y

F

I

I

A

A

G

G

C
x
A

D
|
D

G
|
G

Y

S

H

R

G

S

V

H

S

S

R

R

K

F

S

Q

V

I

P

P

Q

E

K

A

A

Q

I

R

R

K

I

W

F

Y

E

F

K

H

V

E

Y

Y

P

P

F

F

G

A

W

W

L

F

G

G

V

I

L

L

A

A

D

E

I

T

P

P

P

R

V

S

D

S

H

D

E

E

L

L

I

I

Y

Y

A

A

N

N

H

S

E

E

R

N

G

G

F

F

A

A

L

L

C

I

S

S

M

Q

R

R

S

T

L

E

T

T

R

V

S

Q

R

R

Y

L

Y

Y

I

F

Q

Q

C

C

A

D

L

P

D

N

E

E

K

D

V

V

E

N

D

D

W

W

S

S

D

D

E

D

R

R

F

I

Y

W

D

D

E

A

L

F

R

R

R

S

R

R

L

V

P

N

A

G

H

N

H

G

A

F

E

E

A

-

M

L

V

K

T

E

G

G

P

P

S

V

F

I

E

D

K

K

T

T

I

V

A

L

P

K

L

F

R

R

S

S

F

F

V

V

A

H

E

A

P

P

M

M

R

R

F

H

G

G

R

N

L

L

F

F

L

L

A

A

G

G

D
|
D

A

A

H

H

I

T

V

V

P

P

T

T

G

G

A
|
A

K

K

G
|
G

L
|
L

N
|
N

L

L

A
|
A

A

L

S

H

D

D

V

V

H

K

Y

V

L

L

F

F

E

E

G

G

L

F

R

D

E

S

F

F

Y

Y

I

K

E

S

N

G

S

S

T

T

A

A

G

L

I

L

D

D

A

G

Y

Y

S

S

A

G

R

R

A

A

L

L

A

D

R

R

I

V

W

W

K

K

A

A

E

Q

R

Q

F

F

S

S

W

Y

S

W

M

M

T

T

K

S

M

M

L

L

H

H

R

T

F

P

P

V

D

G

M

G

G

D

P

D

F

F

D

A

Q

R

K

A

V

R

Q

Q

E

L

A

G

E

E

L

L

D

N

Y

S

F

V

C

V

N

S

S

S

Q

R

A

H

A

G

S

R

T

A

A

Y

L

L

A

A

E

E

N

A

Y

Y

V

T

G

G

L

W

P

P

binding flavin-adenine dinucleotide: M14 (≠ I8), G15 (= G9), G17 (= G11), A19 (= A13), I37 (≠ L31), E38 (≠ D32), I39 (≠ R33), R40 (≠ V34), R50 (= R44), I53 (≠ V47), A163 (≠ C157), D164 (= D158), G165 (= G159), D290 (= D285), A300 (= A295), G302 (= G297), L303 (= L298), N304 (= N299), A306 (= A301)

8jqoD Protocatecuate hydroxylase from xylophilus ampelinus complexed with imidazole (see paper)
38% identity, 99% coverage: 3:389/389 of query aligns to 1:308/309 of 8jqoD

query
sites
8jqoD

T

T

K

Q

V

V

V

G

I

I

I

V

G
|
G

S

A

G

G

P
|
P

A

A

G

G

L

L

L

M

L

L

G

A

Q

H

L

-

T

-

R

-

A

-

G

-

I

-

D

-

N

-

V

-

I

-

L

-

D

-

R

-

V

-

S

-

E

-

N

-

Y

-

I

-

L

-

G

-

R

-

V

-

R

-

A

-

G

G

V
|
V

L

L

E

E

E

Q

G

G

T

T

V

V

R

E

L

M

M

L

D

R

E

E

A

-

G

-

A

-

S

-

D

-

R

E

L

M

H

H

R

-

E

-

G

-

L

-

P

-

H

-

D

-

G

A

F

I

S

D

L

F

A

R

F

F

D

G

G

G

R

R

D

S

H

H

R

R

I

L

D

D

L

F

H

H

K

E

L

A

T

S

G

G

K

G

R

R

V

-

T

-

V

-

Y

-

G

-

Q

-

T

-

E

-

L

-

T

-

H

-

D

-

L

-

M

-

S

-

E

-

R

-

H

-

R

R

S

A

G

W

A

V

H

E

G

G

I

L

Y

E

E

D

A

-

D

-

N

-

I

-

T

-

P

-

H

-

D

-

F

-

D

D

T

R

A

A

S

-

P

-

Y

-

V

-

T

-

Y

-

E

-

K

-

D

-

G

-

I

-

T

-

H

-

R

R

I

I

D

V

C

C

D

D

Y

F

I

V

A

A

G

G

C

C

D
|
D

G
|
G

Y

F

H

R

G

G

V

V

S

S

R

R

K

G

S

S

V

M

P

P

Q

G

K

I

A

A

I

-

R

R

I

G

F

Y

E

D

K

R

V

I

Y

Y

P

P

F

F

G

G

W

W

L

L

G

G

V

I

L

L

A

A

D

D

I

A

P

P

V

A

D

S

H

P

E

D

L

V

I

T

Y

W

A

G

N

C

H

S

E

D

R

R

G

G

F

F

A

A

L

M

C

M

S

S

M

M

R

R

S

S

L

P

T

T

R

V

S

T

R

R

Y

L

Y

Y

I

L

Q

Q

C

C

A

E

L

P

D

D

E

E

K

D

V

P

E

D

D

A

W

W

S

S

D

D

E

D

R

R

F

I

Y

W

D

S

E

E

L

L

R

H

R

R

L

L

P

D

A

V

H

E

H

G

A

M

E

P

A

S

M

L

V

R

T

E

G

G

P

P

S

I

F

R

E

D

K

K

T

G

I

V

A
x
T

P

A

L

M

R

R

S

S

F

F

V

L

A

S

E

E

P

P

M

M

R

Q

F

H

G

G

R

R

L

L

F

F

L

L

A

A

G
|
G

D
|
D

A

A

H

H

I

I

V

V

P

P

T

T

G

G

A
|
A

K

K

G
|
G

L
|
L

N
|
N

L

S

A

A

A

M

S

A

D

D

V

I

H

K

Y

V

L

L

F

A

E

A

G

A

L

L

R

V

E

D

F

H

Y

Y

I

R

E

H

N

G

S

R

T

S

A

D

G

R

I

L

D

A

A

T

Y

Y

S

S

A

E

R

R

A

C

L

L

A

R

R

R

I

M

W

W

K

L

A

V

E

Q

R

R

F

F

S

S

W

A

S

A

M

L

T

C

K

T

M

M

L

V

H

H

R

Q

F

F

P

P

D

G

M

Q

G

N

P

E

F

F

D

V

Q

R

K

R

V

L

Q

Q

E

R

A

A

E

D

L

L

D

D

Y

Y

F

M

C

T

N

G

S

T

Q

H

A

A

A

G

S

R

T

L

A

Q

L

F

A

A

E

E

N

N

Y

F

V

T

G

G

L

L

P

P

F

I

binding flavin-adenine dinucleotide: G7 (= G9), P10 (= P12), V19 (= V47), D78 (= D158), G79 (= G159), T184 (≠ A265), G203 (= G284), D204 (= D285), A214 (= A295), G216 (= G297), L217 (= L298), N218 (= N299)

7yj0D Structural basis of oxepinone formation by a flavin-monooxygenase vibo (see paper)
26% identity, 79% coverage: 2:308/389 of query aligns to 52:372/622 of 7yj0D

query
sites
7yj0D

R

K

T

V

K

D

V

V

V

I

I

I

I
|
I

G
|
G

S

A

G
|
G

P
|
P

A
x
V

G

G

L

L

L

T

G

A

Q

A

L

C

L

L

T

L

R

R

A

Q

G

G

I

I

D

T

N

V

V

R

I

I

L

L

D
|
D

R
|
R

V

S

S

P

E

H

N

P

Y

L

I

P

L

V

G

G

R

-

V

-

R
|
R

A
|
A

G

D

V

G

L

L

E

Q

E

P

G

R

T

S

V

M

R

E

L

V

M

F

D

D

E

L

A

L

G

G

A

L

S

G

D

E

R

E

L

V

H

Y

R

H

E

V

G

G

L

I

P

R

H

V

D

E

G

H

F

T

S

T

L

V

A

Y

F

K

D

D

G

G

R

K

D

Q

H

H

R

I

I

F

-

A

D

E

L

S

H

H

K

Q

L

A

T

P

G

G

K

N

R

E

V

A

T

H

V

Y

Y

T

G

G

-

L

-

H

-

A

-

C

-

T

Q
|
Q

T

T

E

E

-

V

-

E

-

H

-

L

-

I

-

R

-

D

-

L

L

I

T

R

H

H

D

D

L

I

M

L

S

V

E

E

R

R

H

P

R

C

S

T

G
x
A

A

T

H

S

G

Y

I

T

Y

F

E

D

A

E

D

E

N

A

I

S

T

V

P

T

H

H

D

P

F

I

D

T

T

V

A

N

S

-

P

-

Y

-

V

I

T

T

Y

N

E

E

K

A

D

T

G

G

I

A

T

E

H

E

R

V

I

V

D

T

C

A

D

R

Y

F

I

L

A

V

G

G

C

S

D
|
D

G
|
G

Y

A

H

H

G

S

V

M

S

I

R

R

K

K

S

S

V

L

P

P

Q

I

K

E

A

F

I

P

R

G

I

V

F

K

E

T

K

D

V

L

Y

H

P

-

F

W

G

G

W

I

L

V

G

D

V

A

L

V

-

I

-

N

A

S

D

D

I

F

P

P

P

-

V

-

D

-

H

H

E

R

L

W

I

T

Y

F

A

G

-

T

-

V

-

L

N

N

H

S

E

E

R

Y

G

G

F

G

A

C

L

L

C

I

S

I

M

P

R

R

S

E

L

R

T

N

R

M

S

V

R

R

Y

L

Y

Y

I

V

Q

Q

C

L

-

R

-

A

-

E

-

P

-

G

-

K

A

A

L

F

D

D

E

H

K

S

V

-

E

-

D

K

W

W

S

G

D

P

E

E

R

E

F

I

Y

L

D

V

E

I

L

L

R

N

R

K

R

V

L

F

P

A

A

P

H

Y

-

T

-

L

-

S

H

Y

A

A

E

E

A

-

M

-

V

-

T

-

G

-

P

P

S

V

F

D

E

W

K

Y

T

T

I

I

A

L

P

T

L

I

R

N

S

E

F

R

V

V

A

A

E

T

P

S

M

F

R

T

F

Y

G

K

-

D

R

R

L

I

F

F

L

L

A

A

G

G

D
|
D

A

S

A

C

H

H

I

V

V

H

P

S

P
x
A

T

K

G

G

A

A

K

F

G
|
G

L

M

N

N

L

T

A

G

A

V

S

M

D

D

V

A

H

H

Y

N

L

L

binding flavin-adenine dinucleotide: I58 (= I8), G59 (= G9), G61 (= G11), P62 (= P12), V63 (≠ A13), D82 (= D32), R83 (= R33), R92 (= R44), A93 (= A45), Q155 (= Q101), A179 (≠ G116), D218 (= D158), G219 (= G159), D349 (= D285), A356 (≠ P292), G361 (= G297)

7oujAAA RubL (see paper)
26% identity, 75% coverage: 18:308/389 of query aligns to 54:324/540 of 7oujAAA

query
sites
7oujAAA

G

G

Q

E

L

L

T

R

R

Q

A

A

G

G

I

V

D

E

N

D

V

A

I

A

L

V

D

-

R

R

V

E

S

A

E

S

N

G

Y

F

I

A

L

T

G

H

R

R

V

T

R

R

A

A

G

G

V

V

L

T

E

S

-

L

E

A

G

G

T

E

V

V

R

L

L

F

M

S

D

K

E

E

A

E

G

-

A

-

S

-

D

-

R

-

L

-

H

-

R

-

E

-

G

-

L

-

P

-

H

-

D

-

G

-

F

-

S

-

L

-

A

-

F

L

D

E

G

G

R

D

D

D

H

-

R

-

I

-

D

D

L

L

H

G

K

D

L

L

T

T

G

P

K

S

R

R

V

L

T

L

V

L

Y

L

G

P

Q

Q

T

D

E

R

L

L

T

E

H

P

D

L

L

L

M

R

S

D

E

R

R

A

H

V

R

E

S

L

G

G

A

A

H

D

G

L

I

R

Y

F

E

G

A

T

D
x
E

N
x
L

I

V

T

S

P

F

H

A

D

E

F

D

D

P

T

E

A

G

S

V

P

T

Y

A

V

V

T

L

Y

D

E

D

K

G

D

T

G

G

I

G

T

T

H

R

R

T

I

F

D

R

C

S

D

S

Y

Y

I

L

A

V

G

A

C

C

D
|
D

G
|
G

Y

P

H

R

G

S

V
x
T

S

V

R

R

K

E

S

A

-

L

-

K

V

V

P

P

Q

R

K

Q

A

G

I

R

R

G

I

V

F

L

E

S

K

R

-

H

-

V

V

S

Y

I

P

A

F

F

G

G

W

-

L

-

G

-

V

-

L

-

A

A

D

D

I

L

P

R

P

P

V

V

D

L

H

G

E

D

L

R

I

R

Y

Y

A

S

-

V

-

H

-

V

-

K

N

N

H

P

E

Q

R

V

G
x
T

F

G

A

I

L

L

C
x
V

S

H

M

D

R

D

S

T

L

L

T

T

R

G

S
x
G

R
x
T

Y

L

Y

I

I

V

Q
x
G

C

Y

A

R

L

P

D

E

-

D

-

G

E
|
E

K

S

V

L

E

E

D
|
D

W
x
F

S

T

D

D

E

D

R

R

F

C

Y

-

D

-

E

-

L

-

R

-

L

-

P

-

A

A

H

E

H

L

A

V

E

G

A

A

M

A

V

V

T

G

G

A

P

P

S

G

F

V

E

E

K

V

T

T

I

I

A

R

P

S

-

R

-

F

-

P

-
x
W

-

D

L

M

R

A

S

E

F

Q

V

V

A

A

E

E

P

S

M

F

R

V

F

H

G

G

R

R

L

V

F

L

L

L

A

A

G
|
G

D
|
D

A

A

H

H

I

V

V

V

P

P

T

T

G

G

A
x
G

K

Y

G
|
G

L
x
A

N
|
N

L

T

A

G

A

I

S

A

D

D

V

A

H

H

Y

N

L

L

binding (2S)-hexane-1,2,6-triol: T224 (≠ G206), V228 (≠ C210), G236 (≠ S218), T237 (≠ R219), G241 (≠ Q223), E248 (= E228), D252 (= D232), F253 (≠ W233)
binding flavin-adenine dinucleotide: E138 (≠ D124), L139 (≠ N125), D172 (= D158), G173 (= G159), T177 (≠ V163), W281 (vs. gap), G300 (= G284), D301 (= D285), G311 (≠ A295), G313 (= G297), A314 (≠ L298), N315 (= N299)

Sites not aligning to the query:

binding (2S)-hexane-1,2,6-triol: 44, 45, 427, 428, 429, 478, 484
binding flavin-adenine dinucleotide: 11, 14, 16, 35, 36, 37, 45, 46, 47, 48

Query Sequence

>WP_004687247.1 NCBI__GCF_000022745.1:WP_004687247.1
MRTKVVIIGSGPAGLLLGQLLTRAGIDNVILDRVSENYILGRVRAGVLEEGTVRLMDEAG
ASDRLHREGLPHDGFSLAFDGRDHRIDLHKLTGKRVTVYGQTELTHDLMSERHRSGAHGI
YEADNITPHDFDTASPYVTYEKDGITHRIDCDYIAGCDGYHGVSRKSVPQKAIRIFEKVY
PFGWLGVLADIPPVDHELIYANHERGFALCSMRSLTRSRYYIQCALDEKVEDWSDERFYD
ELRRRLPAHHAEAMVTGPSFEKTIAPLRSFVAEPMRFGRLFLAGDAAHIVPPTGAKGLNL
AASDVHYLFEGLREFYIENSTAGIDAYSARALARIWKAERFSWSMTKMLHRFPDMGPFDQ
KVQEAELDYFCNSQAASTALAENYVGLPF

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