SitesBLAST

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)
69% identity, 100% coverage: 1:393/394 of query aligns to 1:393/394 of 1d7lA

query
sites
1d7lA

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active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding 8-demethyl-8-dimethylamino-flavin-adenine-dinucleotide: G9 (= G9), G11 (= G11), P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), G46 (= G46), V47 (≠ I47), Q102 (= Q102), D159 (= D159), I164 (≠ V164), D286 (= D286), A296 (= A296), K297 (= K297), G298 (= G298), L299 (= L299), N300 (= N300)

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)
69% identity, 100% coverage: 1:393/394 of query aligns to 1:393/394 of P20586

query
sites
P20586

M

M

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K

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S

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S13 (= S13) binding
E32 (= E32) binding
RIRAGV 42:47 (≠ RIRAGI 42:47) binding
A45 (= A45) mutation to G: The positions of the substrate and the flavin are not altered.
Q102 (= Q102) binding
Y201 (= Y201) Important for catalytic activity; binding ; mutation to F: Reduction of hydroxylase activity.
SQR 212:214 (= SQR 212:214) binding
R220 (= R220) mutation to Q: Lower affinity for p-OHB than the wild-type.
Y222 (= Y222) binding
D286 (= D286) binding
P293 (= P293) binding
LN 299:300 (= LN 299:300) binding
N300 (= N300) 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 (= Y385) Important for catalytic activity; mutation to F: The positions of the substrate and the flavin are not altered.

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)
69% identity, 99% coverage: 1:391/394 of query aligns to 1:391/391 of 1pbcA

query
sites
1pbcA

M

M

K

K

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P

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D

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x
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F

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D

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F

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D

G

G

F

F

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D

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L

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Y

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L

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D
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D

A

A

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H

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P
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P

T
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T

G

G

A

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K
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K

G
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G

L

L

N

N

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L

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A

S

S

D

D

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E

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding 2-hydroxy-4-aminobenzoic acid: V47 (≠ I47), W185 (= W185), L199 (= L199), Y201 (= Y201), L210 (= L210), S212 (= S212), R214 (= R214), Y222 (= Y222), P293 (= P293), T294 (= T294)
binding flavin-adenine dinucleotide: G9 (= G9), P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q102), D159 (= D159), I164 (≠ V164), G285 (= G285), D286 (= D286), G298 (= G298)

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)
69% identity, 99% coverage: 1:391/394 of query aligns to 1:391/391 of 1bf3A

query
sites
1bf3A

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

G

G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R

K

I

I

R
|
R

A
|
A

G
|
G

I
x
V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

S

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V

V

T

R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

F

F

H

H

G

G

V

I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

L

V

Q

Q

V

V

P

P

L

L

S

T

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

A

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R

R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R44 (= R44), A45 (= A45), G46 (= G46), V47 (≠ I47), Q102 (= Q102), D159 (= D159), D286 (= D286), A296 (= A296), G298 (= G298), L299 (= L299), N300 (= N300)

1k0lA Pseudomonas aeruginosa phbh r220q free of p-ohb (see paper)
68% identity, 100% coverage: 1:393/394 of query aligns to 1:393/394 of 1k0lA

query
sites
1k0lA

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

G

G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R
|
R

I

I

R
|
R

A
|
A

G

G

I

V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V
|
V

T

R

I

L

N

H

D
|
D

A

L

K
x
Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G
|
G

F

F

H

H

G

G

V

I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

Q

Y

Y

L

V

Q

Q

V

V

P

P

L

L

S

S

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

S

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R

R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

R

E

V

I

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q102), V127 (= V127), D159 (= D159), G160 (= G160), D286 (= D286), A296 (= A296), G298 (= G298), L299 (= L299)
binding sulfite ion: D131 (= D131), Q133 (≠ K133)

1k0jA Pseudomonas aeruginosa phbh r220q in complex with NADPH and free of p- ohb (see paper)
68% identity, 100% coverage: 1:393/394 of query aligns to 1:393/394 of 1k0jA

query
sites
1k0jA

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

G

G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R
|
R

I

I

R
|
R

A

A

G
|
G

I
x
V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V

V

T

R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

F
|
F

H
|
H

G

G

V

I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

Q

Y

Y

L

V

Q

Q

V

V

P

P

L

L

S

S

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

S

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R
|
R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

R

E

V

I

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding flavin-adenine dinucleotide: P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), G46 (= G46), V47 (≠ I47), Q102 (= Q102), D159 (= D159), D286 (= D286), P293 (= P293), G298 (= G298), L299 (= L299), N300 (= N300)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R44 (= R44), F161 (= F161), H162 (= H162), R269 (= R269)

P00438 p-hydroxybenzoate hydroxylase; PHBH; PHBHase; 4-hydroxybenzoate 3-monooxygenase; EC 1.14.13.2 from Pseudomonas fluorescens (see 11 papers)
68% identity, 100% coverage: 1:393/394 of query aligns to 1:393/394 of P00438

query
sites
P00438

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

G

G

A

A

G

G

P

P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q
|
Q

T

T

P

P

E

D

Y
|
Y

V

V

L

L

G

G

R
|
R

I
|
I

R
|
R

A
|
A

G
|
G

I
x
V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H

H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S
x
C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V

V

T

R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D

D

G

G

F
|
F

H
|
H

G

G

V

I

S

S

R
|
R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S
|
S

Q
|
Q

R
|
R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

L

V

Q

Q

V

V

P

P

L

L

S

T

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

A

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R
|
R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y

Y

V

V

G

G

L

L

P

P

M

Y

E

E

R

E

V

I

S13 (= S13) binding
E32 (= E32) binding
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 (= Q34) 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 (≠ RIRAGI 42:47) binding
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 (= Q102) binding
C116 (≠ S116) mutation to S: Slight decrease of affinity for NADPH and p-OHB are observed.
F161 (= F161) mutation to A: Decrease of affinity for NADPH.; mutation to G: Decrease of affinity for NADPH.
H162 (= H162) 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 (= R166) 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 (= Y201) binding
SQR 212:214 (= SQR 212:214) binding
R214 (= R214) mutation to K: Strong decrease of affinity for NADPH and 4-fold decrease of affinity for p-OHB are observed.
Y222 (= Y222) binding ; mutation to A: Results in the removal of a large side chain involving in the binding of the carboxyl group of the substrate.
R269 (= R269) 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 (= D286) binding
P293 (= P293) binding
LN 299:300 (= LN 299:300) binding

2phhA The coenzyme analogue adenosine 5-diphosphoribose displaces fad in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation (see paper)
69% identity, 99% coverage: 1:391/394 of query aligns to 1:391/391 of 2phhA

query
sites
2phhA

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

I
|
I

G

G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R
|
R

I

I

R
|
R

A

A

G

G

I

V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V

V

T

R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

F

F

H

H

G

G

V
x
I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

L

V

Q

Q

V

V

P

P

L

L

S

T

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

A

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R

R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding adenosine-5-diphosphoribose: I8 (= I8), P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), Q102 (= Q102), D159 (= D159), I164 (≠ V164), G285 (= G285), D286 (= D286), G298 (= G298), L299 (= L299)

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)
69% identity, 99% coverage: 1:391/394 of query aligns to 1:391/391 of 1pdhA

query
sites
1pdhA

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

G

G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R
|
R

I

I

R
|
R

A
|
A

G

G

I

V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

D

G

G

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S

A

D

E

V

V

T

R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G

G

F

F

H

H

G

G

V

I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

Y
|
Y

L

V

Q

Q

V

V

P

P

L

L

S

T

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

A

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P

P

L

L

R

R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

active site: H72 (= H72), Y201 (= Y201), P293 (= P293), K297 (= K297), Y385 (= Y385)
binding arabino-flavin-adenine dinucleotide: P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), A45 (= A45), Q102 (= Q102), D159 (= D159), Y222 (= Y222), D286 (= D286), P293 (= P293), G298 (= G298)

1ykjB A45g p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound (see paper)
68% identity, 100% coverage: 1:393/394 of query aligns to 1:391/392 of 1ykjB

query
sites
1ykjB

M

M

K

K

T

T

Q

Q

V

V

A

A

I

I

I
|
I

G
|
G

A

A

G

G

P
|
P

S
|
S

G

G

L

L

G

G

Q

Q

L

L

H

H

H

K

A

A

G

G

I

I

Q

D

T

N

V

V

I

I

L

L

E
|
E

R
|
R

Q

Q

T

T

P

P

E

D

Y

Y

V

V

L

L

G

G

R
|
R

I

I

R
|
R

A
x
G

G

G

I
x
V

L

L

E

E

S

Q

G

G

T

M

V

V

E

D

L

L

R

R

E

E

A

A

G

G

A

V

A

D

R

R

M

M

D

A

A

R

E

-

G

-

L

L

I

V

H
|
H

H

E

G

G

V

V

E

E

F

I

L

A

F

F

E

A

G

G

K

Q

R

R

V

R

P

R

V

I

A

D

L

L

T

K

E

R

L

L

T

S

E

G

G

G

K

K

S

T

V

V

M

T

V

V

Y

Y

G

G

Q
|
Q

T

T

E

E

V

V

T

T

R

R

D

D

L

L

M

M

A

E

A

A

R

R

A

E

E

A

S

C

G

G

A

A

P

T

T

T

I

V

Y

Y

G

Q

V

A

S
x
A

D
x
E

V

V

T
x
R

I

L

N

H

D

D

A

L

K

Q

S

G

D

E

R

R

P

P

S

Y

V

V

S

T

F

F

A

E

C

R

N

D

G

G

E

E

N

R

H

L

R

R

L

L

E

D

C

C

D

D

F

Y

I

I

A

A

G

G

C

C

D
|
D

G
|
G

F

F

H
|
H

G

G

V

I

S

S

R

R

Q

Q

S

S

I

I

P

P

A

A

G

E

V

R

L

L

K

K

E

V

Y

F

E

E

S

R

V

V

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

L

A

A

D

D

T

T

P

P

V

V

N

S

P

H

E

E

L

L

I

I

Y
|
Y

A

A

H

N

H

H

E

P

R

R

G

G

F

F

V

A

L

L

C

C

S

S

Q

Q

R

R

S

S

L

A

T

T

R

R

S

S

R

R

Y

Y

L

V

Q

Q

V

V

P

P

L

L

S

S

E

E

K

K

V

V

E

E

A

D

W

W

S

S

D

D

E

E

R

R

F

F

W

W

N

T

E

E

L

L

K

K

R

A

R

R

L

L

P

P

D

S

E

E

L

V

S

A

S

E

K

K

L

L

V

V

T

T

G

G

H

P

S

S

L

L

E

E

K

K

S

S

I

I

A

A

P
|
P

L

L

R
|
R

S

S

Y

F

V

V

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

S

Y

T

L

L

W

Y

R

R

I

L

L

L

R

L

E

K

Y

A

Y

Y

H

R

H

E

G

G

R

R

V

G

D

E

L

L

A

E

S

R

Y

Y

S

S

R

A

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

W

M

M

T

T

R

S

L

V

L

L

H

H

D

R

F

F

P

P

Q

D

Q

T

S

D

E

A

F

F

D

S

R

Q

K

R

M

I

Q

Q

A

Q

A

T

D

E

R

L

R

E

Y

Y

L

L

Q

G

S

S

R

E

A

A

G

G

L

L

T

A

T

T

I

I

A

A

E

E

N

N

Y
|
Y

V

V

G

G

L

L

P

P

M

Y

E

E

R

E

V

I

active site: H70 (= H72), Y199 (= Y201), P291 (= P293), K295 (= K297), Y383 (= Y385)
binding flavin-adenine dinucleotide: I8 (= I8), G9 (= G9), P12 (= P12), S13 (= S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), G45 (≠ A45), V47 (≠ I47), Q100 (= Q102), D157 (= D159), G158 (= G160), D284 (= D286), P291 (= P293), G296 (= G298), L297 (= L299), N298 (= N300)
binding pyrosulfate: R33 (= R33), A123 (≠ S125), E124 (≠ D126), R126 (≠ T128), H160 (= H162), P265 (= P267), R267 (= R269)

7on9A Crystal structure of para-hydroxybenzoate-3-hydroxylase prai (see paper)
51% identity, 99% coverage: 1:391/394 of query aligns to 1:393/393 of 7on9A

query
sites
7on9A

M

M

K

R

T

T

Q

Q

V

V

A

G

I

I

I
|
I

G

G

A

A

G
|
G

P
|
P

S
x
A

G

G

L

L

G

S

Q

H

L

L

H

Y

H

L

A

Q

G

G

I

I

Q

E

T

S

V

I

I

I

L

I

E
|
E

R
x
N

Q
x
R

T

T

P

R

E

E

Y

E

V

I

L

E

G

G

R

T

I

I

R
|
R

A
|
A

G
|
G

I
x
V

L

L

E

E

S

Q

G

G

T

T

V

V

E

D

L

L

L

M

R

N

E

Q

A

M

G

G

A

V

A

G

R

A

R

R

M

M

D

M

A

K

E

E

G

G

L

H

I

F

H

H

H

E

G

G

V

F

E

E

F

L

L

R

F

F

E

N

G

G

K

R

R

G

V

H

P

R

V

I

A

N

L

V

T

H

E

E

L

L

T

T

E

G

G

G

K

K

S

Y

V

V

M

T

V

V

Y

Y

G

A

Q
|
Q

T

H

E

E

V

V

T

I

R

K

D

D

L

L

M

V

A

A

R

R

A

L

E

Q

S

T

G

G

A

G

P

Q

T

I

I

H

Y

F

G

N

V

V

S

G

D

D

V

V

T

S

I

L

N

H

D

D

A

V

K

D

S

T

D

S

R

S

P

P

S

K

V

I

S

R

F

F

A

R

C

P

N

N

-

K

-

D

G

G

E

E

N

L

H

Q

R

E

L

I

E

E

C

C

D

D

F

F

I

I

A

A

G

G

C

C

D
|
D

G

G

F

F

H

R

G

G

V
x
P

S

S

R

R

Q

P

S

A

I

I

P

P

A

Q

G

S

V

V

L

R

K

K

E

E

Y

Y

E

Q

S

K

V

V

W

Y

P

P

F

F

G

S

W

W

L

L

G

G

L

I

L

L

A

V

D

E

T

A

P

P

V

S

N

A

P

H

E

E

L

L

I

I

Y

Y

A

A

H

N

H

H

E

E

R

R

G

G

F

F

V

A

L

L

C

V

S

S

Q

T

R

R

S

S

L

P

T

Q

R

I

S

Q

R

R

Y

L

Y

Y

L

L

Q

Q

V

V

P

D

L

A

S

Q

E

D

K

H

V

I

E

D

A

N

W

W

S

S

D

D

E

D

R

R

F

I

W

W

N

S

E

E

L

L

K

H

R

A

R

R

L

L

P

E

D

T

E

R

L

D

S

G

S

F

K

K

L

L

V

L

T

E

G

G

H

P

S

I

L

F

E

Q

K

K

S

G

I

I

A
x
V

P

S

L

M

R

R

S

S

Y

F

V

V

V

C

E

D

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

Q

Y

V

L

L

W

A

R

R

I

G

L

L

R

E

E

A

Y

Y

H

K

H

A

G

G

R

K

V

M

D

E

L

I

L

L

A

N

S

R

Y

C

S

T

R

E

L

I

A

C

L

L

D

R

R

R

V

I

W

W

K

K

G

A

E

E

R

R

F

F

S

S

W

W

F

F

M

M

T

T

R

T

L

M

L

L

H

H

D

R

F

D

P

Q

Q

G

Q

H

S

T

E

P

F

F

D

E

R

R

K

G

M

I

Q

Q

A

L

A

A

D

E

R

L

R

D

Y

Y

Y

V

L

T

Q

S

S

S

R

R

A

A

G

A

L

S

T

T

T

S

I

L

A

A

E

E

N

N

Y

Y

V

I

G

G

L

L

P

P

M

M

E

E

binding flavin-adenine dinucleotide: I8 (= I8), G11 (= G11), P12 (= P12), A13 (≠ S13), E32 (= E32), N33 (≠ R33), R34 (≠ Q34), R44 (= R44), A45 (= A45), G46 (= G46), V47 (≠ I47), Q102 (= Q102), D161 (= D159), P166 (≠ V164), V268 (≠ A266), G287 (= G285), D288 (= D286), P295 (= P293), A298 (= A296), G300 (= G298), L301 (= L299), N302 (= N300)

8jqoA Protocatecuate hydroxylase from xylophilus ampelinus complexed with imidazole (see paper)
47% identity, 99% coverage: 1:391/394 of query aligns to 1:391/391 of 8jqoA

query
sites
8jqoA

M

M

K

R

T

T

Q

Q

V

V

A

G

I

I

I

V

G

G

A

A

G
|
G

P
|
P

S
x
A

G

G

L

L

L

M

L

L

G

A

Q

H

L

L

H

R

A

E

G

G

I

I

Q

D

T

A

V

V

I

V

L

I

E
|
E

R
|
R

Q

A

T

A

P

R

E

E

Y

H

V

V

L

R

G

T

R
|
R

I

L

R
|
R

A

A

G

G

I
x
V

L

L

E

E

S

Q

G

G

T

T

V

V

E

E

L

M

L

L

R

R

E

E

A

A

G

G

A

V

A

G

R

G

R

R

M

I

D

D

A

A

E

V

G

G

L

M

I

E

H

M

H

H

G

A

V

I

E

D

F

F

L

R

F

F

E

G

G

G

K

R

R

S

V

H

P

R

V

L

A

D

L

F

T

H

E

E

L

A

T

S

E

G

G

G

K

R

S

R

V

A

M

W

V

V

Y

Y

G

P

Q
|
Q

T

H

E

E

V

V

T

V

R

T

D

D

L

L

M

M

A

S

A

A

R

C

A

D

E

A

S

G

G

D

A

V

P

P

T

I

I

L

Y

Y

G

E

V

A

S

P

D
x
V

V

E

T

R

I

I

N

E

D

G

A

L

K

E

S

D

D

D

R

R

P

A

S

R

V

I

S

V

F

F

A

G

C

Q

N

D

G

G

E

A

N

A

H

G

R

E

L

I

E

T

C

C

D

D

F

F

I

V

A

A

G

G

C

C

D
|
D

G
|
G

F

F

H

R

G

G

V

V

S

S

R

R

Q

G

S

S

I

M

P

P

A

A

G

G

V

I

L

A

K

R

E

G

Y

Y

E

D

S

R

V

I

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

I

L

L

A

A

D

D

T

A

P

P

V

A

N

S

P

P

E

D

L

V

I

T

Y

W

A

G

H

C

H

S

E

D

R

R

G

G

F

F

V

A

L

M

C

M

S

S

Q

M

R

R

S

S

L

P

T

T

R

V

S

T

R

R

Y

L

Y

Y

L

L

Q

Q

V

C

P

E

L

P

S

D

E

E

K

D

V

P

E

D

A

A

W

W

S

S

D

D

E

D

R

R

F

I

W

W

N

S

E

E

L

L

K

H

R

R

L

L

P

D

D

V

E

E

L

G

S

M

S

P

K

S

L

L

V

R

T

E

G

G

H

P

S

I

L

R

E

D

K

K

S

G

I

V

A

T

P

A

L

M

R

R

S

S

Y

F

V

L

V

S

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

K

Y

V

L

L

W

A

R

A

I

A

L

L

R

V

E

D

Y

H

Y

Y

H

R

H

H

G

G

R

R

V

S

D

D

L

R

L

L

A

A

S

T

Y

Y

S

S

R

E

L

R

A

C

L

L

D

R

R

R

V

M

W

W

K

L

G

V

E

Q

R

R

F

F

S

S

W

A

F

A

M

L

T

C

R

T

L

M

L

V

H

H

D

Q

F

F

P

P

Q

G

Q

Q

S

N

E

E

F

F

D

V

R

R

K

R

M

L

Q

Q

A

R

A

A

D

D

R

L

R

D

Y

Y

Y

M

L

T

Q

G

S

T

R

H

A

A

G

G

L

R

T

L

T

Q

I

F

A

A

E

E

N

N

Y

F

V

T

G

G

L

L

P

P

M

I

E

E

binding flavin-adenine dinucleotide: G11 (= G11), P12 (= P12), A13 (≠ S13), E32 (= E32), R33 (= R33), R42 (= R42), R44 (= R44), V47 (≠ I47), Q102 (= Q102), V126 (≠ D126), D159 (= D159), G160 (= G160), G285 (= G285), D286 (= D286), A296 (= A296), K297 (= K297), G298 (= G298), L299 (= L299), N300 (= N300)

8jqoD Protocatecuate hydroxylase from xylophilus ampelinus complexed with imidazole (see paper)
39% identity, 99% coverage: 3:391/394 of query aligns to 1:309/309 of 8jqoD

query
sites
8jqoD

T

T

Q

Q

V

V

A

G

I

I

I

V

G
|
G

A

A

G

G

P
|
P

S

A

G

G

L

L

L

M

L

L

G

A

Q

H

L

-

H

-

A

-

G

-

I

-

Q

-

T

-

V

-

I

-

L

-

E

-

R

-

Q

-

T

-

P

-

E

-

Y

-

V

-

L

-

G

-

R

-

I

-

R

-

A

-

G

G

I
x
V

L

L

E

E

S

Q

G

G

T

T

V

V

E

E

L

M

L

L

R

R

E

E

A

E

G

-

A

-

R

-

M

-

D

-

A

-

E

-

G

-

L

-

I

-

H

M

H

H

G

A

V

I

E

D

F

F

L

R

F

F

E

G

G

G

K

R

R

S

V

H

P

R

V

L

A

D

L

F

T

H

E

E

L

A

T

S

E

G

G

G

K

R

S

R

V

A

M

W

V

V

Y

E

G

G

Q

L

T

E

E

D

V

-

T

-

R

-

D

-

L

-

M

-

A

-

R

-

A

-

E

-

S

-

G

-

A

-

P

-

T

-

I

-

Y

-

G

-

V

-

S

-

D

-

V

-

T

-

I

-

N

-

D

-

A

-

K

-

S

-

D

-

R

-

P

-

S

-

V

-

S

-

F

-

A

-

C

-

N

-

G

-

E

D

N

R

H

A

R

R

L

I

E

V

C

C

D

D

F

F

I

V

A

A

G

G

C

C

D
|
D

G
|
G

F

F

H

R

G

G

V

V

S

S

R

R

Q

G

S

S

I

M

P

P

A

-

G

G

V

I

L

A

K

R

E

G

Y

Y

E

D

S

R

V

I

W

Y

P

P

F

F

G

G

W

W

L

L

G

G

L

I

L

L

A

A

D

D

T

A

P

P

V

A

N

S

P

P

E

D

L

V

I

T

Y

W

A

G

H

C

H

S

E

D

R

R

G

G

F

F

V

A

L

M

C

M

S

S

Q

M

R

R

S

S

L

P

T

T

R

V

S

T

R

R

Y

L

Y

Y

L

L

Q

Q

V

C

P

E

L

P

S

D

E

E

K

D

V

P

E

D

A

A

W

W

S

S

D

D

E

D

R

R

F

I

W

W

N

S

E

E

L

L

K

H

R

R

L

L

P

D

D

V

E

E

L

G

S

M

S

P

K

S

L

L

V

R

T

E

G

G

H

P

S

I

L

R

E

D

K

K

S

G

I

V

A
x
T

P

A

L

M

R

R

S

S

Y

F

V

L

V

S

E

E

P

P

M

M

Q

Q

Y

H

G

G

K

R

L

L

F

F

L

L

L

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

N

K

Y

V

L

L

W

A

R

A

I

A

L

L

R

V

E

D

Y

H

Y

Y

H

R

H

H

G

G

R

R

V

S

D

D

L

R

L

L

A

A

S

T

Y

Y

S

S

R

E

L

R

A

C

L

L

D

R

R

R

V

M

W

W

K

L

G

V

E

Q

R

R

F

F

S

S

W

A

F

A

M

L

T

C

R

T

L

M

L

V

H

H

D

Q

F

F

P

P

Q

G

Q

Q

S

N

E

E

F

F

D

V

R

R

K

R

M

L

Q

Q

A

R

A

A

D

D

R

L

R

D

Y

Y

Y

M

L

T

Q

G

S

T

R

H

A

A

G

G

L

R

T

L

T

Q

I

F

A

A

E

E

N

N

Y

F

V

T

G

G

L

L

P

P

M

I

E

E

binding flavin-adenine dinucleotide: G7 (= G9), P10 (= P12), V19 (≠ I47), D78 (= D159), G79 (= G160), T184 (≠ A266), G203 (= G285), D204 (= D286), A214 (= A296), G216 (= G298), L217 (= L299), N218 (= N300)

6c7sA Structure of rifampicin monooxygenase with product bound (see paper)
25% identity, 82% coverage: 4:328/394 of query aligns to 3:319/473 of 6c7sA

query
sites
6c7sA

Q

D

V

V

A

I

I

I

I

A

G
|
G

A

G

G
|
G

P
|
P

S
x
T

G

G

L

L

L

M

L

L

G

A

Q

G

L

E

L

L

H

R

H

L

A

H

G

G

I

V

Q

R

T

T

V

V

I

V

L
|
L

E
|
E

R
x
K

Q

E

T

P

P

T

E

P

Y

N

V

Q

L

H

G

S

R
|
R

I
x
S

R
|
R

A

G

G

-

I

-

L

L

E

H

S

A

G

R

T

S

V

I

E

E

L

V

L

M

R

D

E

Q

A

R

G

G

A

L

R

E

R

R

M

-

D

-

A

-

E

-

G

-

L

F

I

L

H

A

H

H

G

G

V

E

E

Q

F

F

L

R

F

V

E
x
G

G
|
G

K
x
F

R

F

V

A

P
x
G

V

L

A

A

L

A

-

E

-

W

-

P

T

A

E

D

L

L

T

D

E

T

G

A

K

H

S

S

V

Y

M

V

V

L

Y
x
A

G

I

Q

P

T
x
Q

E

V

V

V

T

T

R

E

D

R

L

L

M

L

A

T

A

E

R

H

A

A

E

T

S

E

G

L

A

G

P

A

T

E

I

I

Y

R

G

R

V

G

S

C

D
x
E

V
|
V

T

A

I

G

N

L

D

D

A

Q

K

D

S

A

D

D

R

G

P

V

S

T

V

A

S

E

F

L

A

A

C

-

N

-

G

-

E

D

N

G

H

T

R

R

L

L

E

R

C

A

D

R

F

Y

I

L

A

V

G

G

C

C

D
|
D

G
|
G

F

G

H

R

G

S

V
x
T

S

V

R

R

Q

R

S

L

I

L

P

G

A

V

G

D

V

F

L

P

K

G

E

E

Y

P

E

T

S

R

V

V

W

E

P

T

F

L

G

-

W

L

L

A

G

D

L

V

L

R

A

I

D

D

T

V

P

P

P

V

V

E

N

T

P

L

E

T

L

A

I

V

Y

V

A

A

H

E

H

V

E
x
R

R

K

G

T

F

Q

V
x
L

L

R

C
x
F

S
x
G

Q

A

R

V

S

P

L
x
A

T

G

R

D

S

G

R

F

Y

F

Y

R

L

L

Q
x
I

V

V

P

P

L

-

S

A

E

Q

K

G

V

L

E

S

A

A

W

D

S

R

D

A

E

A

R

P

F

T

W

L

N

D

E

E

L

L

K

K

R

R

R

C

L

L

P

H

D

A

E

T

L

A

S

G

S

T

K

D

L

F

V

G

T

V

G

H

H

S

S

P

L

R

E

W

K

L

S

S

I

R

A
x
F

P

G

L

D

R

A

S

T

Y

R

V

L

V

A

E

E

P

R

M

Y

Q

R

Y

T

G

G

K

R

L

V

F

L

L

L

L

A

G

G

D
|
D

A

A

H

H

I

I

V

H

P

P

P
|
P

T
|
T

G
|
G

A
x
G

K

Q

G
|
G

L
|
L

N
|
N

L

L

A

G

A

I

S

Q

D

D

V

A

-

F

N

N

Y

L

L

G

W

W

R

K

I

L

L

A

R

A

E

A

Y

I

Y

G

H

G

H

W

G

A

R

P

V

P

D

D

L

L

A

D

S

S

Y

Y

active site: R43 (= R44), A207 (≠ L216), I215 (≠ Q224), P283 (= P293)
binding flavin-adenine dinucleotide: G8 (= G9), G10 (= G11), P11 (= P12), T12 (≠ S13), L30 (= L31), E31 (= E32), K32 (≠ R33), R41 (= R42), S42 (≠ I43), Q98 (≠ T103), E121 (≠ D126), V122 (= V127), D151 (= D159), G152 (= G160), T156 (≠ V164), D276 (= D286), P283 (= P293), G286 (≠ A296), G288 (= G298), L289 (= L299), N290 (= N300)
binding (1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate: R43 (= R44), G72 (≠ E80), G73 (= G81), F74 (≠ K82), G77 (≠ P85), A95 (≠ Y100), R196 (≠ E205), L200 (≠ V209), F202 (≠ C211), G203 (≠ S212), I215 (≠ Q224), F256 (≠ A266), P283 (= P293), T284 (= T294), G285 (= G295), G286 (≠ A296)

5koxA Structure of rifampicin monooxygenase complexed with rifampicin (see paper)
25% identity, 82% coverage: 4:328/394 of query aligns to 3:319/473 of 5koxA

query
sites
5koxA

Q

D

V

V

A

I

I

I

I

A

G
|
G

A

G

G
|
G

P
|
P

S
x
T

G

G

L

L

L

M

L

L

G

A

Q

G

L

E

L

L

H

R

H

L

A

H

G

G

I

V

Q

R

T

T

V

V

I

V

L
|
L

E
|
E

R
x
K

Q

E

T

P

P

T

E

P

Y

N

V

Q

L

H

G

S

R
|
R

I
x
S

R
|
R

A
x
G

G

-

I

-

L

L

E

H

S

A

G

R

T

S

V

I

E

E

L

V

L

M

R

D

E

Q

A

R

G

G

A

L

R

E

R

R

M

-

D

-

A

-

E

-

G

-

L

F

I

L

H

A

H

H

G

G

V

E

E
x
Q

F
|
F

L

R

F

V

E

G

G

G

K
x
F

R

F

V

A

P

G

V

L

A

A

L

A

-

E

-

W

-

P

T

A

E

D

L

L

T

D

E

T

G

A

K

H

S

S

V

Y

M

V

V

L

Y

A

G

I

Q

P

T
x
Q

E

V

V

V

T

T

R

E

D

R

L

L

M

L

A

T

A

E

R

H

A

A

E

T

S

E

G

L

A

G

P

A

T

E

I

I

Y

R

G

R

V

G

S

C

D

E

V
|
V

T

A

I

G

N

L

D

D

A

Q

K

D

S

A

D

D

R

G

P

V

S

T

V

A

S

E

F

L

A

A

C

-

N

-

G

-

E

D

N

G

H

T

R

R

L

L

E

R

C

A

D

R

F

Y

I

L

A

V

G

G

C

C

D
|
D

G
|
G

F

G

H

R

G

S

V
x
T

S

V

R

R

Q

R

S

L

I

L

P

G

A

V

G

D

V

F

L

P

K

G

E

E

Y

P

E

T

S

R

V

V

W

E

P

T

F

L

G

-

W

L

L

A

G

D

L

V

L

R

A

I

D

D

T

V

P

P

P

V

V

E

N

T

P

L

E

T

L

A

I

V

Y

V

A

A

H

E

H

V

E

R

R

K

G

T

F

Q

V

L

L

R

C

F

S
x
G

Q

A

R
x
V

S

P

L
x
A

T

G

R

D

S

G

R

F

Y

F

Y

R

L

L

Q
x
I

V

V

P

P

L

-

S

A

E

Q

K

G

V

L

E

S

A

A

W

D

S

R

D

A

E

A

R

P

F

T

W

L

N

D

E

E

L

L

K

K

R

R

R

C

L

L

P

H

D

A

E

T

L

A

S

G

S

T

K

D

L

F

V

G

T

V

G

H

H

S

S

P

L

R

E

W

K

L

S

S

I

R

A
x
F

P

G

L

D

R

A

S

T

Y

R

V

L

V

A

E

E

P

R

M

Y

Q

R

Y

T

G

G

K

R

L

V

F

L

L

L

L

A

G

G

D
|
D

A

A

H

H

I

I

V

H

P

P

P
|
P

T
|
T

G
|
G

A
x
G

K
x
Q

G
|
G

L
|
L

N
|
N

L

L

A

G

A

I

S

Q

D

D

V

A

-

F

N

N

Y

L

L

G

W

W

R

K

I

L

L

A

R

A

E

A

Y

I

Y

G

H

G

H

W

G

A

R

P

V

P

D

D

L

L

A

D

S

S

Y

Y

active site: R43 (= R44), Q68 (≠ E76), A207 (≠ L216), I215 (≠ Q224), P283 (= P293)
binding flavin-adenine dinucleotide: G8 (= G9), G10 (= G11), P11 (= P12), T12 (≠ S13), L30 (= L31), E31 (= E32), K32 (≠ R33), R41 (= R42), S42 (≠ I43), R43 (= R44), Q98 (≠ T103), V122 (= V127), D151 (= D159), G152 (= G160), T156 (≠ V164), D276 (= D286), P283 (= P293), G286 (≠ A296), Q287 (≠ K297), G288 (= G298), L289 (= L299), N290 (= N300)
binding rifampicin: R43 (= R44), G44 (≠ A45), F69 (= F77), F74 (≠ K82), G203 (≠ S212), V205 (≠ R214), I215 (≠ Q224), F256 (≠ A266), P283 (= P293), T284 (= T294), G285 (= G295), G286 (≠ A296)

Q5YTV5 Rifampicin monooxygenase; RIFMO; EC 1.14.13.211 from Nocardia farcinica (strain IFM 10152) (see 2 papers)
25% identity, 82% coverage: 4:328/394 of query aligns to 3:319/473 of Q5YTV5

query
sites
Q5YTV5

Q

D

V

V

A

I

I

I

I

A

G

G

A

G

G

G

P

P

S
x
T

G

G

L

L

L

M

L

L

G

A

Q

G

L

E

L

L

H

R

H

L

A

H

G

G

I

V

Q

R

T

T

V

V

I

V

L

L

E
|
E

R
x
K

Q

E

T

P

P

T

E

P

Y

N

V

Q

L

H

G

S

R
|
R

I

S

R
|
R

A

G

G

-

I

-

L

L

E

H

S

A

G

R

T

S

V

I

E

E

L

V

L

M

R

D

E

Q

A

R

G

G

A

L

R

E

R

R

M

-

D

-

A

-

E

-

G

-

L

F

I

L

H

A

H

H

G

G

V

E

E

Q

F

F

L

R

F

V

E

G

G

G

K

F

R

F

V

A

P

G

V

L

A

A

L

A

-

E

-

W

-

P

T

A

E

D

L

L

T

D

E

T

G

A

K

H

S

S

V

Y

M

V

V

L

Y

A

G

I

Q

P

T
x
Q

E

V

V

V

T

T

R

E

D

R

L

L

M

L

A

T

A

E

R

H

A

A

E

T

S

E

G

L

A

G

P

A

T

E

I

I

Y

R

G

R

V

G

S

C

D

E

V
|
V

T

A

I

G

N

L

D

D

A

Q

K

D

S

A

D

D

R

G

P

V

S

T

V

A

S

E

F

L

A

A

C

-

N

-

G

-

E

D

N

G

H

T

R

R

L

L

E

R

C

A

D

R

F

Y

I

L

A

V

G

G

C

C

D

D

G

G

F

G

H

R

G

S

V
x
T

S

V

R

R

Q

R

S

L

I

L

P

G

A

V

G

D

V

F

L

P

K

G

E

E

Y

P

E

T

S

R

V

V

W

E

P

T

F

L

G

-

W

L

L

A

G

D

L

V

L

R

A

I

D

D

T

V

P

P

P

V

V

E

N

T

P

L

E

T

L

A

I

V

Y

V

A

A

H

E

H

V

E
x
R

R

K

G

T

F

Q

V

L

L

R

C

F

S

G

Q

A

R

V

S

P

L

A

T

G

R

D

S

G

R

F

Y

F

Y

R

L

L

Q

I

V

V

P

P

L

-

S

A

E

Q

K

G

V

L

E

S

A

A

W

D

S

R

D

A

E

A

R

P

F

T

W

L

N

D

E

E

L

L

K

K

R

R

R

C

L

L

P

H

D

A

E

T

L

A

S

G

S

T

K

D

L

F

V

G

T

V

G

H

H

S

S

P

L

R

E

W

K

L

S

S

I

R

A

F

P

G

L

D

R

A

S

T

Y

R

V

L

V

A

E

E

P

R

M

Y

Q

R

Y

T

G

G

K

R

L

V

F

L

L

L

L

A

G

G

D
|
D

A

A

H

H

I

I

V

H

P

P

T

T

G
|
G

A

G

K

Q

G

G

L
|
L

N
|
N

L

L

A

G

A

I

S

Q

D

D

V

A

-

F

N

N

Y

L

L

G

W

W

R

K

I

L

L

A

R

A

E

A

Y

I

Y

G

H

G

H

W

G

A

R

P

V

P

D

D

L

L

A

D

S

S

Y

Y

T12 (≠ S13) binding
E31 (= E32) binding
K32 (≠ R33) binding
R41 (= R42) binding
R43 (= R44) binding
Q98 (≠ T103) binding
V122 (= V127) binding
T156 (≠ V164) binding
R196 (≠ E205) binding
D276 (= D286) binding
G285 (= G295) binding
L289 (= L299) binding
N290 (= N300) binding

5kowA Structure of rifampicin monooxygenase (see paper)
25% identity, 82% coverage: 4:328/394 of query aligns to 4:320/474 of 5kowA

query
sites
5kowA

Q

D

V

V

A

I

I

I

I

A

G
|
G

A

G

G
|
G

P
|
P

S
x
T

G

G

L

L

L

M

L

L

G

A

Q

G

L

E

L

L

H

R

H

L

A

H

G

G

I

V

Q

R

T

T

V

V

I

V

L
|
L

E
|
E

R
x
K

Q

E

T

P

P

T

E

P

Y

N

V

Q

L

H

G

S

R
|
R

I
x
S

R
|
R

A

G

G

-

I

-

L

L

E

H

S

A

G

R

T

S

V

I

E

E

L

V

L

M

R

D

E

Q

A

R

G

G

A

L

R

E

R

R

M

-

D

-

A

-

E

-

G

-

L

F

I

L

H

A

H

H

G

G

V

E

E
x
Q

F

F

L

R

F

V

E

G

G

G

K

F

R

F

V

A

P

G

V

L

A

A

L

A

-

E

-

W

-

P

T

A

E

D

L

L

T

D

E

T

G

A

K

H

S

S

V

Y

M

V

V

L

Y

A

G

I

Q

P

T
x
Q

E

V

V

V

T

T

R

E

D

R

L

L

M

L

A

T

A

E

R

H

A

A

E

T

S

E

G

L

A

G

P

A

T

E

I

I

Y

R

G

R

V

G

S

C

D
x
E

V
|
V

T

A

I

G

N

L

D

D

A

Q

K

D

S

A

D

D

R

G

P

V

S

T

V

A

S

E

F

L

A

A

C

-

N

-

G

-

E

D

N

G

H

T

R

R

L

L

E

R

C

A

D

R

F

Y

I

L

A

V

G

G

C

C

D
|
D

G
|
G

F

G

H

R

G

S

V
x
T

S

V

R

R

Q

R

S

L

I

L

P

G

A

V

G

D

V

F

L

P

K

G

E

E

Y

P

E

T

S

R

V

V

W

E

P

T

F

L

G

-

W

L

L

A

G

D

L

V

L

R

A

I

D

D

T

V

P

P

P

V

V

E

N

T

P

L

E

T

L

A

I

V

Y

V

A

A

H

E

H

V

E

R

R

K

G

T

F

Q

V

L

L

R

C

F

S

G

Q

A

R

V

S

P

L
x
A

T

G

R

D

S

G

R

F

Y

F

Y

R

L

L

Q
x
I

V

V

P

P

L

-

S

A

E

Q

K

G

V

L

E

S

A

A

W

D

S

R

D

A

E

A

R

P

F

T

W

L

N

D

E

E

L

L

K

K

R

R

R

C

L

L

P

H

D

A

E

T

L

A

S

G

S

T

K

D

L

F

V

G

T

V

G

H

H

S

S

P

L

R

E

W

K

L

S

S

I

R

A

F

P

G

L

D

R

A

S

T

Y

R

V

L

V

A

E

E

P

R

M

Y

Q

R

Y

T

G

G

K

R

L

V

F

L

L

L

L

A

G

G

D
|
D

A

A

H

H

I

I

V

H

P

P

P
|
P

T

T

G

G

A

G

K
x
Q

G
|
G

L
|
L

N
|
N

L

L

A

G

A

I

S

Q

D

D

V

A

-

F

N

N

Y

L

L

G

W

W

R

K

I

L

L

A

R

A

E

A

Y

I

Y

G

H

G

H

W

G

A

R

P

V

P

D

D

L

L

A

D

S

S

Y

Y

active site: R44 (= R44), Q69 (≠ E76), A208 (≠ L216), I216 (≠ Q224), P284 (= P293)
binding flavin-adenine dinucleotide: G9 (= G9), G11 (= G11), P12 (= P12), T13 (≠ S13), L31 (= L31), E32 (= E32), K33 (≠ R33), R42 (= R42), S43 (≠ I43), Q99 (≠ T103), E122 (≠ D126), V123 (= V127), D152 (= D159), G153 (= G160), T157 (≠ V164), D277 (= D286), P284 (= P293), Q288 (≠ K297), G289 (= G298), L290 (= L299), N291 (= N300)

Query Sequence

>BWI76_RS04020 FitnessBrowser__Koxy:BWI76_RS04020
MKTQVAIIGAGPSGLLLGQLLHHAGIQTVILERQTPEYVLGRIRAGILESGTVELLREAG
AARRMDAEGLIHHGVEFLFEGKRVPVALTELTEGKSVMVYGQTEVTRDLMAARAESGAPT
IYGVSDVTINDAKSDRPSVSFACNGENHRLECDFIAGCDGFHGVSRQSIPAGVLKEYESV
WPFGWLGLLADTPPVNPELIYAHHERGFVLCSQRSLTRSRYYLQVPLSEKVEAWSDERFW
NELKRRLPDELSSKLVTGHSLEKSIAPLRSYVVEPMQYGKLFLLGDAAHIVPPTGAKGLN
LAASDVNYLWRILREYYHHGRVDLLASYSRLALDRVWKGERFSWFMTRLLHDFPQQSEFD
RKMQAADRRYYLQSRAGLTTIAENYVGLPMERVV

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