SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_106713723.1 NCBI__GCF_003010955.1:WP_106713723.1 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)

Q51645 (S)-2-haloacid dehalogenase 4A; 2-haloalkanoic acid dehalogenase IVA; Halocarboxylic acid halidohydrolase IVA; L-2-haloacid dehalogenase IVA; EC 3.8.1.2 from Burkholderia cepacia (Pseudomonas cepacia) (see 2 papers)
48% identity, 97% coverage: 7:227/229 of query aligns to 3:224/231 of Q51645

query
sites
Q51645

E

D

N

S

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A

A

C

C

V

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D

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Y
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Y

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Y

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T

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K

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K

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S

A

A

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G

I

Y

K

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A

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I

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x
S

N
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N

G

G

T

N

P

D

E

E

M

M

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L

A

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A

A

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N

A

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K

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G

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N

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A

D11 (= D15) active site, Nucleophile
AY 12:13 (= AY 16:17) binding an (S)-2-haloacid
R42 (= R46) binding an (S)-2-haloacid
SN 119:120 (≠ TN 122:123) binding an (S)-2-haloacid

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2no5B Crystal structure analysis of a dehalogenase with intermediate complex (see paper)
48% identity, 97% coverage: 7:227/229 of query aligns to 3:224/226 of 2no5B

query
sites
2no5B

E

D

N

S

I

L

E

R

A

A

C

C

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V

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F

D
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D

A

A

Y

Y

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G

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T

L

L

D

D

F

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D
x
H

S

S

P

A

A

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M

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R

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K

A

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D

T

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K

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A

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E

A

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S

S
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M

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R

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Q

K

R

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Q

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L

E

E

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Y

T

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W

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M

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Y

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A

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active site: D11 (= D15), T15 (= T19), R42 (= R46), S119 (≠ T122), N120 (= N123), K152 (= K155), S176 (= S179), N178 (= N181), W180 (= W183), D181 (= D184)
binding (2s)-2-chloropropanoic acid: H20 (≠ D24), E35 (= E39), S38 (= S42), M39 (≠ S43), N178 (= N181), A179 (≠ C182), W180 (= W183)

Q53464 (S)-2-haloacid dehalogenase; 2-haloalkanoic acid dehalogenase; Halocarboxylic acid halidohydrolase; L-2-haloacid dehalogenase; L-DEX; EC 3.8.1.2 from Pseudomonas sp. (strain YL) (see 2 papers)
45% identity, 92% coverage: 9:219/229 of query aligns to 4:215/232 of Q53464

query
sites
Q53464

I

I

E

K

A

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A
x
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Y
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Y

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Y

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A

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F

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G

I

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K

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G

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S

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N

G

G

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A

A

A

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S

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H

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A

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S

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D10 (= D15) active site, Nucleophile; mutation D->E,S,A,G: Loss of catalytic activity.; mutation to N: Severe reduction in catalytic activity.
LY 11:12 (≠ AY 16:17) binding an (S)-2-haloacid
T14 (= T19) Important for catalytic activity; mutation to A: Severe reduction in catalytic activity. No effect on substrate affinity.; mutation T->P,C: Severe reduction in catalytic activity.; mutation to S: Mild reduction in catalytic activity.
R41 (= R46) mutation to E: Severe reduction in catalytic activity.; mutation to K: Severe reduction in catalytic activity. 4-fold decrease in substrate affinity.; mutation to W: Loss of catalytic activity.
S118 (≠ T122) mutation to A: Severe reduction in catalytic activity. 25-fold decrease in substrate affinity.
SN 118:119 (≠ TN 122:123) binding an (S)-2-haloacid
K151 (= K155) Important for catalytic activity; mutation to A: Loss of catalytic activity.; mutation to R: Severe reduction in catalytic activity.
Y157 (= Y161) Important for catalytic activity; mutation Y->C,S,H,W: Severe reduction in catalytic activity.; mutation to F: Severe reduction in catalytic activity. 1.5-fold decrease in substrate affinity.
S175 (= S179) mutation to A: Severe reduction in catalytic activity. 2-fold decrease in substrate affinity.; mutation to C: Severe reduction in catalytic activity.; mutation to T: Moderate reduction in catalytic activity.
SSNAWD 175:180 (≠ SSNCWD 179:184) Important for catalytic activity
N177 (= N181) mutation N->D,I: Loss of catalytic activity.; mutation N->W,K,H,Q: Severe reduction in catalytic activity.
D180 (= D184) mutation D->N,E,S,G: Loss of catalytic activity.

1zrmA Crystal structure of the reaction intermediate of l-2-haloacid dehalogenase with 2-chloro-n-butyrate (see paper)
45% identity, 92% coverage: 9:219/229 of query aligns to 2:213/220 of 1zrmA

query
sites
1zrmA

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K

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K

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W

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N

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K
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K

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Y

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W

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F

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W

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I

N

N

R

R

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P

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L

active site: D8 (= D15), T12 (= T19), R39 (= R46), S116 (≠ T122), N117 (= N123), K149 (= K155), A173 (≠ S179), N175 (= N181), W177 (= W183), D178 (= D184)
binding butanoic acid: D8 (= D15), L9 (≠ A16), Y10 (= Y17), S116 (≠ T122)

Q60099 (S)-2-haloacid dehalogenase; 2-haloalkanoic acid dehalogenase; Halocarboxylic acid halidohydrolase; L-2-haloacid dehalogenase; EC 3.8.1.2 from Xanthobacter autotrophicus (see 2 papers)
42% identity, 95% coverage: 9:226/229 of query aligns to 2:241/253 of Q60099

query
sites
Q60099

I

I

E

K

A

A

C

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V

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F

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D

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A

Y
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Y

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T

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K

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Y

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A

A

A

A

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A

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A

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N

A

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D

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S

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C

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D

D

A

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G

G

A

A

S

K

H

N

F

F

G

G

F

F

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S

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V

V

A

W

R

C

V

N

A

R

R

Y

L

D

S

Q

Q

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E

-

A

-

L

-

A

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R

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S

-

G

-

T

-

I

-

A

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L

D

T

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M

L

F

S

K

A

A

-

L

-

R

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M

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R

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E

-

T

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Y

-

A

-

E

K

A

P

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D

D

A

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V

D8 (= D15) active site, Nucleophile
AY 9:10 (= AY 16:17) binding an (S)-2-haloacid
R39 (= R46) binding an (S)-2-haloacid
SN 114:115 (≠ TN 122:123) binding an (S)-2-haloacid

3umbA Crystal structure of the l-2-haloacid dehalogenase rsc1362
42% identity, 94% coverage: 8:222/229 of query aligns to 2:221/227 of 3umbA

query
sites
3umbA

N

S

I

I

E

R

A

A

C

V

V

V

F

F

D
|
D

A

A

Y

Y

G

G

T
|
T

L

L

L

F

D

D

F

V

D

Y

S

S

P

V

A

A

R

A

R

R

A

A

K

E

D

Q

T

L

L

F

G

P

K

G

N

K

A

G

E

E

A

A

L

L

S

S

S

V

V

L

W

W

R
|
R

Q
x
D

K

R

Q

Q

L

I

E
x
D

Y

Y

T

T

W

R

L

I

R

R

S

S

L

L

M

A

G

G

A

P

-

S

-

G

-

E

-

H

Y

Y

A

K

P

P

F

F

W

W

Q

D

V

V

T

T

G

V

E

D

A

A

L

L

D

R

Y

Y

A

A

M

C

E
x
A

T

R

L

L

G
x
N

I

L

A

P

-

L

D

G

N

N

E

H

L

A

R

E

Q

A

R

T

L

L

M

M

Q

R

L

E

Y

Y

L

A

A

C

L

L

N

S

P

A

F

F

P

P

D

E

V

N

A

V

A

P

T

V

L

L

K

R

V

Q

L

L

K

R

Q

E

A

M

G

G

I

L

K

P

T

L

A

G

I

I

L

L

T
x
S

N
|
N

G

G

T

N

P

P

E

Q

M

M

I

L

A

E

A

I

A

A

C

V

S

K

N

S

A

A

G

G

I

M

D

S

G

G

F

L

F

F

D

D

A

H

I

V

L

L

S

S

V

V

D

D

E

A

V

V

Q

R

I

L

Y

Y

K
|
K

P

T

H

A

P

P

S

A

V

A

Y

Y

Q

A

L

L

A

A

V

P

D

R

R

A

L

F

G

G

A

V

A

P

K

A

E

A

R

Q

I

I

S

L

F

F

Q

V

S
|
S

S

S

N
|
N

C

G

W
|
W

D
|
D

A

A

I

C

G

G

A

A

S

T

H

W

F

H

G

G

F

F

R

T

V

T

V

F

W

W

C

I

N

N

R

R

Y

L

D

G

Q

H

P

P

L

P

D

E

Q

A

L

L

S

D

A

V

K

A

P

P

D

A

A

A

V

A

I

G

K

H

S

D

L

M

A

R

E

D

L

L

active site: D9 (= D15), T13 (= T19), R40 (= R46), S121 (≠ T122), N122 (= N123), K154 (= K155), S178 (= S179), N180 (= N181), W182 (= W183), D183 (= D184)
binding magnesium ion: D41 (≠ Q47), D45 (≠ E51), A76 (≠ E78), N79 (≠ G81)

2yn4A L-2-chlorobutryic acid bound complex l-haloacid dehalogenase from a rhodobacteraceae family bacterium (see paper)
32% identity, 92% coverage: 13:222/229 of query aligns to 5:215/225 of 2yn4A

query
sites
2yn4A

V

V

F

F

D
|
D

A

V

Y
x
N

G

E

T
|
T

L

L

D

D

F

L

D

T

S

S

P

L

A

S

R

P

R

L

A

F

K

E

D

R

T

V

L

F

G

G

K

-

N

D

A

A

E

K

A

V

L

L

S

R

S

E

V

-

W

W

R
x
F

Q

P

K

E

Q

L

L

I

E

L

Y

Y

T

S

W

Q

L

T

R

L

S

T

L

L

M

T

G

G

A

L

Y

Y

A

R

P

P

F
|
F

W

G

Q

E

V

I

T

A

G

A

E

A

A

V

L

F

D

E

Y

M

-

V

-

A

A

A

M

N

E

H

T

Q

L

A

G

K

I

V

A

T

D

P

N

D

-

D

-

I

-

A

E

E

L

L

R

K

Q

T

R

R

L

L

M

T

Q

-

L

-

Y

-

L

-

A

S

L

M

N

P

P

A

F

Y

P

P

D

D

V

V

A

A

A

P

T

A

L

L

K

T

V

R

L

L

K

Q

Q

D

A

A

G

G

I

F

K

R

T

L

A

V

I

T

L

L

T
|
T

N
|
N

G

S

T

A

P

P

E

S

M

P

I

A

A

P

A

S

A

P

C

L

S

E

N

K

A

A

G

G

I

I

D

A

G

S

F

F

D

E

A

A

I

H

L

L

S

T

V

V

D

H

E

S

V

S

Q

Q

I

R

Y

F

K
|
K

P

P

H

H

P

P

S

S

V

V

Y

Y

Q

D

L

S

A

T

V

A

D

E

R

T

L

L

G

G

A

A

A

K

K

P

E

E

R

E

I

L

S

C

F

M

Q

I

S
x
A

S

C

N
x
H

C

I

W
|
W

D
|
D

A

T

I

I

G

G

A

A

S

Q

H

A

F

R

G

G

F

W

R

R

V

G

W

F

C

V

N

A

R

R

-

P

Y

H

D

N

Q

T

P

P

L

L

D

T

Q

L

L

A

S

E

A

V

-

P

K

Q

P

P

D

D

A

F

V

I

I

G

K

R

S

D

L

M

A

G

E

E

L

L

active site: D7 (= D15), T11 (= T19), F36 (≠ R46), T113 (= T122), N114 (= N123), K146 (= K155), A170 (≠ S179), H172 (≠ N181), W174 (= W183), D175 (= D184)
binding (2S)-2-chlorobutanoic acid: D7 (= D15), N9 (≠ Y17), F55 (= F65), T113 (= T122), N114 (= N123), H172 (≠ N181)

4ygrA Crystal structure of had phosphatase from thermococcus onnurineus (see paper)
31% identity, 57% coverage: 98:227/229 of query aligns to 85:211/215 of 4ygrA

query
sites
4ygrA

L

L

N

Q

P

V

F

Y

P

P

D

D

V

T

A

I

A

P

T

T

L

L

K

E

V

W

L

L

K

R

Q

D

A

T

G

G

I

Y

K

K

T

L

A

G

I

I

L

V

T
|
T

N
x
S

G
|
G

T

-

P

P

E

K

M

Y

I

Q

A

R

A

L

A

K

C

L

S

K

N

L

A

T

G

G

I

L

D

L

G

D

F

Y

F

F

D

D

A

V

I

V

L

I

S

T

V

R

D

D

E

D

V

V

Q

N

I

A

Y

I

K
|
K

P

P

H

E

P

P

S

K

V

I

Y

F

Q

L

L

Y

A

T

V

I

D

E

R

R

L

L

G

G

A

V

A

E

-

P

K

G

E

E

R

A

I

V

S

M

F

V

Q
x
G

S
x
D

S

S

N
x
L

C

S

W
x
Q

D
|
D

A

V

I

Y

G

G

A

A

S

K

H

S

F

V

G

G

F

M

R

T

V

A

V

V

W

W

C

I

N

N

R

R

Y

N

D

G

Q

-

P

-

L

-

D

D

Q

R

L

G

S

Y

A

N

K

M

P

A

D

D

A

Y

V

E

I

I

K

R

S

T

L

L

A

Y

E

E

L

L

P

R

P

K

L

I

I

L

G

G

active site: T109 (= T122), S110 (≠ N123), G111 (= G124), K141 (= K155), G165 (≠ Q178), D166 (≠ S179), L168 (≠ N181), Q170 (≠ W183), D171 (= D184)
binding magnesium ion: D166 (≠ S179)

Sites not aligning to the query:

active site: 7, 9, 15, 38
binding magnesium ion: 7, 9
binding 2-[n-cyclohexylamino]ethane sulfonic acid: 9, 50, 53, 58, 58, 61

8wbtA Crystal structure of cis-epoxysuccinate hydrolases klcesh[l] mutant d48n complexed with l-ta (see paper)
30% identity, 96% coverage: 9:227/229 of query aligns to 3:234/237 of 8wbtA

query
sites
8wbtA

I

L

E

K

A

A

C

L

V

F

F

F

D
x
N

A
x
V

Y
x
Q

G

G

T

T

L

L

L

V

D

D

F

F

D

Y

S

S

P

-

A

-

R

-

A

-

K

-

D

-

T

T

L

I

G

T

K

R

N

E

A

G

E

E

A

A

L

F

S

S

S

A

V

V

-

R

-

G

-

F

-

Q

-

A

-

D

W

W

-

T

-

V

-

T

R

E

Q

Q

K

W

Q

R

L

A

E

E

Y

Y

-

R

T

S

W

R

L

L

R

D

S

Q

L

V

M

I

G

K

A

G

Y

E

A

R

P

P

F

-

W

W

Q

T

V

T

T

T

G

D

-

R

-

I

-

Y

-

R

E

E

A

A

L

L

D

D

-

G

-

I

Y

L

A

A

M

N

E

H

T

P

L

W

G

G

I

A

A

S

D

L

N

N

E

S

L

A

-

D

R

R

Q

D

R

E

L

L

M

N

Q

S

L

L

Y

W

L

S

A

K

L

L

N

I

P

P

F

W

P

D

D

D

V

T

A

A

A

P

T

G

L

L

K

A

V

R

L

L

K

R

Q

S

A

K

G

Y

I

I

K

-

T

T

A

S

I

T

L

L

T
x
S

N
|
N

G

G

T

S

P

M

E

A

M

S

I

V

A

L

A

R

A

I

C

S

S

K

N

L

A

G

G

A

I

L

D

P

G

-

F

-

F

F

D

D

A

A

I

I

L

L

S

T

V

A

D

E

E

L

V

V

Q

R

I

S

Y

S

K
|
K

P

P

H

D

P

P

S

K

V

V

Y

Y

Q

Q

L

L

A

A

V

L

D

D

R

S

L

V

G

G

A

I

A

E

K

A

E

H

R

Q

I

A

S

M

F

M

Q

V

S

A

S

C

N

H

C

K

W
x
Y

D

D

A

L

I

Q

G

A

A

A

S

K

H

R

F

L

G

G

F

F

R

K

V

V

V

A

W

F

C

I

N

A

R

R

Y

P

D

F

Q

E

-

F

-

G

P

P

L

N

D

K

Q

K

L

V

S

D

A

T

K

K

P

P

-

E

-

Q

-

Y

-

F

D

D

A

Y

V

Y

I

A

K

N

S

S

L

V

A

V

E

E

L

L

P

A

P

G

L

M

I

L

G

G

binding l(+)-tartaric acid: N9 (≠ D15), V10 (≠ A16), Q11 (≠ Y17), S125 (≠ T122), N126 (= N123), K156 (= K155), Y184 (≠ W183)

8bp1A Crystal structure of bhmehis1.0, an engineered enzyme for the morita- baylis-hillman reaction (see paper)
25% identity, 95% coverage: 9:226/229 of query aligns to 2:226/231 of 8bp1A

query
sites
8bp1A

I

I

E

R

A

A

C

V

V

F

F

F

D
|
D

A

S

Y
x
L

G

G

T

T

L

L

L

I

D

S

F

V

D

E

S

G

P

A

A

Y

R

K

R

V

-

H

-

L

-

K

-

I

A

M

K

E

D

E

T

V

L

L

G

G

K

D

-

Y

-

P

-

L

N

N

A

P

E

K

A

T

L

L

S

L

S

D

V

E

W

Y

R

-

Q

-

K

E

Q

K

L

L

E

A

Y

R

T

E

W

A

L

F

R

S

S

N

L

Y

M

A

G

G

A

K

-

P

Y

Y

A

R

P

P

F

L

W

R

Q

D

V

I

T

L

G

E

E

E

A

V

L

M

D

R

Y

K

A

L

M

A

E

E

T

K

L

Y

G

G

I

F

A

K

-

Y

-

P

D

E

N

N

-

L

-

W

E

E

L

I

R

S

Q

L

R

R

L

M

M

A

Q

Q

L

R

Y

Y

L

G

A

E

L

L

N

-

P

-

F

Y

P

P

D

E

V

V

A

V

A

E

T

V

L

L

K

K

V

S

L

L

K

K

Q

-

A

G

G

K

I

Y

K

H

T

V

A

G

I

V

L

I

T
x
L

N
|
N

G
x
R

T

D

P

T

E

E

M

P

I

A

A

T

A

A

A

F

C

L

S

D

N

A

A

L

G

G

I

I

D

K

G

D

F

L

F

F

D

D

A

S

I

I

L

T

S

T

V

S

D

E

E

E

V

A

Q

G

I

F

Y

F

K

K

P

P

H

H

P

P

S

R

V

I

Y

F

Q

E

L

L

A

A

V

L

D

K

R

K

L

A

G

G

A

V

A

K

K

G

E

E

R

K

I

A

S

V

F

Y

Q

V

S

G

S
x
D

N

N

-

P

C

V

W

K

D

D

A

A

I

G

G

G

A

S

S

K

H

N

F

L

G

G

F

M

R

T

V

S

V

I

W

L

C

L

N

D

R

R

Y

K

D

G

Q

E

P

K

L

-

D

R

Q

E

L

F

S

W

A

D

K

K

P

A

D

D

A

F

V

I

I

V

K

S

S

D

L

L

A

R

E

E

L

V

P

I

P

K

L

I

I

V

binding magnesium ion: D8 (= D15), L10 (≠ Y17), L122 (≠ T122), N123 (= N123), R124 (≠ G124), D180 (≠ S180)

6q7oA Crystal structure of oe1 (see paper)
25% identity, 95% coverage: 9:226/229 of query aligns to 2:226/230 of 6q7oA

query
sites
6q7oA

I

I

E

R

A

A

C

V

V

F

F

F

D
|
D

A

S

Y
x
L

G

G

T

T

L

L

L

N

D

S

F

V

D

E

S

G

P

A

A

A

R

K

R

S

-

H

-

L

-

K

-

I

A

M

K

E

D

E

T

V

L

L

G

G

K

D

-

Y

-

P

-

L

N

N

A

P

E

K

A

T

L

L

S

L

S

D

V

E

W

Y

R

-

Q

-

K

E

Q

K

L

L

E

T

Y

R

T

E

W

A

L

F

R

S

S

N

L

Y

M

A

G

G

A

K

-

P

Y

Y

A

R

P

P

F

L

W

R

Q

D

V

I

T

L

G

E

E

E

A

V

L

M

D

R

Y

K

A

L

M

A

E

E

T

K

L

Y

G

G

I

F

A

K

-

Y

-

P

D

E

N

N

-

F

-

W

E

E

L

I

R

S

Q

L

R

R

L

M

M

S

Q

Q

L

R

Y

Y

L

G

A

E

L

L

N

-

P

-

F

Y

P

P

D

E

V

V

A

V

A

E

T

V

L

L

K

K

V

S

L

L

K

K

Q

-

A

G

G

K

I

Y

K

H

T

V

A

G

I

M

L

I

T

T

N

D

G

S

T

D

P

T

E

E

M

Q

I

A

A

M

A

A

A

F

C

L

S

D

N

A

A

L

G

G

I

I

D

K

G

D

F

L

F

F

D

D

A

S

I

I

L

T

S

T

V

S

D

E

E

E

V

A

Q

G

I

F

Y

F

K

K

P

P

H

H

P

P

S

R

V

I

Y

F

Q

E

L

L

A

A

V

L

D

K

R

K

L

A

G

G

A

V

A

K

K

G

E

E

R

E

I

A

S

V

F

Y

Q

V

S

G

S
x
D

N

N

-

P

C

V

W

K

D

D

A

C

I

G

G

G

A

S

S

K

H

N

F

L

G

G

F

M

R

T

V

S

V

I

W

L

C

L

N

D

R

R

Y

K

D

G

Q

E

P

K

L

-

D

R

Q

E

L

F

S

W

A

D

K

K

P

C

D

D

A

F

V

I

I

V

K

S

S

D

L

L

A

R

E

E

L

V

P

I

P

K

L

I

I

V

binding calcium ion: D8 (= D15), L10 (≠ Y17), D180 (≠ S180)

6q7nA Crystal structure of bh32 alkylated with the mechanistic inhibitor 2- bromoacetophenone (see paper)
25% identity, 95% coverage: 9:226/229 of query aligns to 2:226/230 of 6q7nA

query
sites
6q7nA

I

I

E

R

A

A

C

V

V

F

F

F

D

D

A

S

Y

L

G

G

T

T

L

L

L

N

D

S

F

V

D

E

S

G

P

A

A

A

R

K

R

S

-
x
H

-

L

-

K

-

I

A

M

K

E

D

E

T

V

L

L

G

G

K

D

-

Y

-

P

-

L

N

N

A

P

E

K

A

T

L

L

S

L

S

D

V

E

W

Y

R

-

Q

-

K

E

Q

K

L

L

E

T

Y

R

T

E

W

A

L

F

R

S

S

N

L

Y

M

A

G

G

A

K

-

P

Y

Y

A

R

P

P

F

L

W

R

Q

D

V

I

T
x
L

G

E

E

E

A

V

L

M

D

R

Y

K

A

L

M

A

E

E

T

K

L

Y

G

G

I

F

A

K

-

Y

-

P

D

E

N

N

-

F

-
x
W

E

E

L

I

R
x
S

Q
x
L

R

R

L

M

M
x
S

Q

Q

L

R

Y

Y

L

G

A

E

L

L

N

-

P

-

F

Y

P

P

D

E

V

V

A

V

A

E

T

V

L

L

K

K

V

S

L

L

K

K

Q

-

A

G

G

K

I

Y

K

H

T

V

A

G

I

M

L

I

T

T

N

D

G

S

T

D

P

T

E

E

M

Q

I

A

A

M

A

A

A

F

C

L

S

D

N

A

A

L

G

G

I

I

D

K

G

D

F

L

F

F

D

D

A

S

I

I

L

T

S

T

V

S

D

E

E

E

V

A

Q

G

I

F

Y

F

K

K

P

P

H

H

P

P

S

R

V

I

Y

F

Q

E

L

L

A

A

V

L

D

K

R

K

L

A

G

G

A

V

A

K

K

G

E

E

R

E

I

A

S

V

F

Y

Q

V

S

G

S

D

N

N

-

P

C

V

W

K

D

D

A

C

I

G

G

G

A

S

S

K

H

N

F

L

G

G

F

M

R

T

V

S

V

I

W

L

C

L

N

D

R

R

Y

K

D

G

Q

E

P

K

L

-

D

R

Q

E

L

F

S

W

A

D

K

K

P

C

D

D

A

F

V

I

I

V

K

S

S

D

L

L

A

R

E

E

L

V

P

I

P

K

L

I

I

V

binding 1-phenylethanone: H23 (vs. gap), L68 (≠ T69), W88 (vs. gap), S91 (≠ R88), L92 (≠ Q89), S95 (≠ M92)

3qnmA Haloalkane dehalogenase family member from bacteroides thetaiotaomicron of unknown function
25% identity, 70% coverage: 67:226/229 of query aligns to 63:230/231 of 3qnmA

query
sites
3qnmA

Q

K

V

V

T

T

G

K

E

E

A

E

L

L

D

N

-

R

-

Q

-

R

-

F

Y

Y

A

P

M

L

E

Q

T

A

L

V

G

G

I

V

A

E

D

D

N

E

E

A

L

L

R

A

Q

E

R

R

L

F

M

S

Q

E

L

D

Y

F

L

F

A

A

L

I

N

I

P

P

-

T

-

K

-

S

-

G

-

L

F

M

P

P

D

H

V

A

A

K

A

E

T

V

L

L

K

E

V

Y

L

L

K

A

Q

-

A

P

G

Q

I

Y

K

N

T

L

A

Y

I

I

L

L

T

S

N

N

G

G

T

F

P

R

E

E

M

L

I

Q

A

S

A

R

A

K

C

M

S

R

N

S

A

A

G

G

I

V

D

D

G

R

F

Y

F

F

D

K

A

K

I

I

L

I

S

L

V

S

D

E

E

D

V

L

Q

G

I

V

Y

L

K

K

P

P

H

R

P

P

S

E

V

I

Y

F

Q

H

L

F

A

A

V

L

D

S

R

-

L

A

G

T

A

Q

A

S

K

E

E

L

R

R

I

E

S

S

F

L

Q

M

S

I

S

G

N
x
D

C

S

W

W

D

E

A

A

-

D

-

I

I

T

G

G

A

A

S

H

H

G

F

V

G

G

F

M

R

H

V

Q

V

A

W

F

C

Y

N

N

R

V

Y

T

D

E

Q

R

P

T

L

V

D

-

Q

-

L

F

S

P

A

F

K

Q

P

P

D

T

A

Y

V

H

I

I

K

H

S

S

L

L

A

K

E

E

L

L

P

M

P

N

L

L

I

L

binding magnesium ion: D185 (≠ N181)

Sites not aligning to the query:

binding magnesium ion: 9, 11

9fugA SNAr1.3 (K39A) (see paper)
26% identity, 95% coverage: 9:226/229 of query aligns to 2:226/231 of 9fugA

query
sites
9fugA

I

I

E

R

A

A

C

V

V

F

F

F

D

D

A

S

Y

L

G

G

T

T

L

L

L

I

D

S

F

V

D

E

S

G

P

A

A

Y

R

K

-

V

R

R

A

L

K

K

-
x
I

-

M

-

E

D

E

T

V

L

L

G

G

K

D

N

Y

A

P

E

L

A

N

L

P

S

A

S

T

V

L

W

L

R

D

Q

E

-
x
Y

K

E

Q

K

L

L

E

A

Y

R

T

E

W

A

L

F

R

S

S

N

L

Y

M

A

G

G

A

K

-

P

Y

Y

A

R

P

P

F

M

W
x
R

Q

D

V

I

T
x
L

G

E

E

E

A

V

L

M

D

R

Y

K

A

L

M

A

E

E

T

K

L

Y

G

G

I

F

A

K

D

Y

N

P

E

E

-

N

L
|
L

R
|
R

Q

E

-

I

-
x
S

-

L

R

R

L

M

M

A

Q

C

L

R

Y

Y

L

G

A

E

L

L

N

-

P

-

F

Y

P

P

D

E

V

V

A

V

A

E

T

V

L

L

K

K

V

S

L

L

K

K

Q

G

A

K

G

Y

I

H

K

V

T

G

A

D

I

I

L

L

T

Q

N

R

G

D

T

T

P

-

E

E

M

P

I

A

A

T

A

A

A

F

C

L

S

D

N

A

A

L

G

G

I

I

D

K

G

D

F

L

F

F

D

D

A

S

I

I

L

T

S

T

V

S

D

E

E

E

V

A

Q

G

I

F

Y

F

K

K

P

P

H

H

P

P

S

R

V

I

Y

F

Q

E

L

L

A

A

V

L

D

K

R

K

L

A

G

G

A

V

A

K

K

G

E

E

R

K

I

A

S

V

F

Y

Q

V

S

G

S

D

N

N

-

P

C

V

W

K

D

D

A

A

I

G

G

G

A

S

S

K

H

N

F

L

G

G

F

M

R

T

V

S

V

I

W

L

C

L

N

D

R

R

Y

K

D

G

Q

E

P

K

L

-

D

R

Q

E

L

F

S

W

A

D

K

K

P

A

D

D

A

F

V

I

I

V

K

S

S

D

L

L

A

R

E

E

L

V

P

I

P

K

L

I

I

V

binding 2,4-dinitroiodobenzene: I26 (vs. gap), Y45 (vs. gap), R65 (≠ W66), L68 (≠ T69), L87 (= L87), R88 (= R88), S91 (vs. gap)

4uauA Crystal structure of cbby (mutant d10n) from rhodobacter sphaeroides in complex with xylulose-(1,5)bisphosphate, crystal form ii (see paper)
28% identity, 96% coverage: 9:228/229 of query aligns to 2:223/226 of 4uauA

query
sites
4uauA

I

I

E

E

A

A

C

I

V

L

F

F

D
|
D

A
x
V

Y
x
N

G

G

T

T

L

L

L

A

D

E

F
x
T

D
x
E

S

E

P

L

A
x
H

R

R

A

A

K

-

D

-

T

-

L

F

G

N

K

E

N

T

A

F

E

A

A

A

L

L

S

G

S

V

V

D

W

W

R

F

Q

W

K

D

Q

R

L

E

E

E

Y

Y

T

R

W

E

L

L

R

L

S
x
T

L

T

M
x
T

G
|
G

A
x
G

-

K

-

E

-
x
R

Y

I

A

A

P

R

F

F

W

L

Q

R

-

H

V

Q

T

K

G

G

E

D

A

P

L

A

D

P

Y

L

A

P

M

I

E

A

T

D

L

I

G
x
H

I

R

A

A

D
x
K

N

T

E

E

L

R

R

F

Q

V

R

A

L

L

M

M

-

A

Q

E

L

G

Y

E

L

I

A

A

L

L

N

R

P

P

F

-

P

-

D

G

V

I

A

A

A

D

T

L

L

I

K

A

V

E

L

A

K

K

Q

R

A

A

G

G

I

I

K

R

T

L

A

A

I

V

L

A

T
|
T

N
x
T

G
x
T

T
x
S

-

L

-

P

-

N

P

V

E

E

M

A

I

L

A

C

A

R

A

A

C

C

S

F

N

G

A

H

G

P

I

A

D

R

G

E

F

I

F

F

D

D

A

V

I

I

L

A

S

A

V

G

D

D

E

M

V

V

Q

A

I

E

Y

K

K
|
K

P

P

H

S

P

P

S

D

V

I

Y

Y

Q

R

L

L

A

A

V

L

D

R

R

E

L

L

G

D

A

V

A

P

K

P

E

E

R

R

I

A

S

V

F

A

Q

L

S
x
E

S
x
D

N

S

C

L

W

N

D

G

A

L

I

R

G

A

A

A

S

K

H

G

F

A

G

G

F

L

R

R

V

C

V

I

W

V

C

S

N

P

R

G

Y

F

D

Y

Q

T

P

R

L

H

D

E

Q

E

L

F

S

-

A

A

K

G

P

A

D

D

A

R

V

L

I

L

K

D

S

S

L

F

A

A

E

E

L

L

P

G

L

L

I

A

G

G

I

L

active site: D8 (= D15), V9 (≠ A16), N10 (≠ Y17), T16 (≠ F23), T47 (≠ S57), T115 (= T122), T116 (≠ N123), K151 (= K155), E175 (≠ S179), D176 (≠ S180)
binding magnesium ion: D8 (= D15), N10 (≠ Y17), D176 (≠ S180)
binding xylulose-1,5-bisphosphate: D8 (= D15), V9 (≠ A16), N10 (≠ Y17), E17 (≠ D24), H20 (≠ A27), T49 (≠ M59), G50 (= G60), G51 (≠ A61), R54 (vs. gap), H75 (≠ G81), K78 (≠ D84), T115 (= T122), T116 (≠ N123), T117 (≠ G124), S118 (≠ T125)

4uasA Crystal structure of cbby from rhodobacter sphaeroides in complex with phosphate (see paper)
28% identity, 96% coverage: 9:228/229 of query aligns to 2:223/225 of 4uasA

query
sites
4uasA

I

I

E

E

A

A

C

I

V

L

F

F

D
|
D

A
x
V

Y
x
D

G

G

T

T

L

L

L

A

D

E

F
x
T

D

E

S

E

P

L

A

H

R

R

A

A

K

-

D

-

T

-

L

F

G

N

K

E

N

T

A

F

E

A

A

A

L

L

S

G

S

V

V

D

W

W

R

F

Q

W

K

D

Q

R

L

E

E

E

Y

Y

T

R

W

E

L

L

R

L

S
x
T

L

T

M

T

G

G

A

G

-

K

-

E

-

R

Y

I

A

A

P

R

F

F

W

L

Q

R

-

H

V

Q

T

K

G

G

E

D

A

P

L

A

D

P

Y

L

A

P

M

I

E

A

T

D

L

I

G

H

I

R

A

A

D

K

N

T

E

E

L

R

R

F

Q

V

R

A

L

L

M

M

-

A

Q

E

L

G

Y

E

L

I

A

A

L

L

N

R

P

P

F

-

P

-

D

G

V

I

A

A

A

D

T

L

L

I

K

A

V

E

L

A

K

K

Q

R

A

A

G

G

I

I

K

R

T

L

A

A

I

V

L

A

T
|
T

N
x
T

G

T

T

S

-

L

-

P

-

N

P

V

E

E

M

A

I

L

A

C

A

R

A

A

C

C

S

F

N

G

A

H

G

P

I

A

D

R

G

E

F

I

F

F

D

D

A

V

I

I

L

A

S

A

V

G

D

D

E

M

V

V

Q

A

I

E

Y

K

K
|
K

P

P

H

S

P

P

S

D

V

I

Y

Y

Q

R

L

L

A

A

V

L

D

R

R

E

L

L

G

D

A

V

A

P

K

P

E

E

R

R

I

A

S

V

F

A

Q

L

S
x
E

S
x
D

N

S

C

L

W

N

D

G

A

L

I

R

G

A

A

A

S

K

H

G

F

A

G

G

F

L

R

R

V

C

V

I

W

V

C

S

N

P

R

G

Y

F

D

Y

Q

T

P

R

L

H

D

E

Q

E

L

F

S

-

A

A

K

G

P

A

D

D

A

R

V

L

I

L

K

D

S

S

L

F

A

A

E

E

L

L

P

G

L

L

I

A

G

G

I

L

active site: D8 (= D15), V9 (≠ A16), D10 (≠ Y17), T16 (≠ F23), T47 (≠ S57), T115 (= T122), T116 (≠ N123), K151 (= K155), E175 (≠ S179), D176 (≠ S180)
binding magnesium ion: D8 (= D15), D10 (≠ Y17), D176 (≠ S180)
binding phosphate ion: D8 (= D15), V9 (≠ A16), D10 (≠ Y17), T115 (= T122), T116 (≠ N123), K151 (= K155)

P95649 Protein CbbY; RuCbby; EC 3.1.3.- from Cereibacter sphaeroides (Rhodobacter sphaeroides) (see paper)
28% identity, 96% coverage: 9:228/229 of query aligns to 2:223/230 of P95649

query
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P95649

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D10 (≠ Y17) mutation to N: Loss of catalytic activity.
E17 (≠ D24) mutation to A: 40% to 80% decreased catalytic activity with xylulose-1,5-bisphosphate, but no effect on activity with ribulose-1,5-bisphosphate.
H20 (≠ A27) mutation to A: 40% to 80% decreased catalytic activity with xylulose-1,5-bisphosphate, but no effect on activity with ribulose-1,5-bisphosphate.
Y42 (= Y52) mutation to A: 40% to 80% decreased catalytic activity with xylulose-1,5-bisphosphate, but no effect on activity with ribulose-1,5-bisphosphate.
R54 (vs. gap) mutation to A: 97% decreased catalytic activity with xylulose-1,5-bisphosphate, but no effect on activity with ribulose-1,5-bisphosphate.
K78 (≠ D84) mutation to A: 40% to 80% decreased catalytic activity with xylulose-1,5-bisphosphate, but no effect on activity with ribulose-1,5-bisphosphate.

7ocnA Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase mtld from acinetobacter baumannii (see paper)
25% identity, 70% coverage: 9:168/229 of query aligns to 9:163/690 of 7ocnA

query
sites
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binding magnesium ion: D15 (= D15), D17 (≠ Y17)

Sites not aligning to the query:

binding magnesium ion: 175

7ocpA NADPH bound to the dehydrogenase domain of the bifunctional mannitol- 1-phosphate dehydrogenase/phosphatase mtld from acinetobacter baumannii (see paper)
25% identity, 70% coverage: 9:168/229 of query aligns to 9:163/688 of 7ocpA

query
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binding magnesium ion: D15 (= D15), D17 (≠ Y17)

Sites not aligning to the query:

binding magnesium ion: 175
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 250, 251, 253, 254, 279, 280, 334, 335, 336, 339, 369, 370

7ocqA Nadh bound to the dehydrogenase domain of the bifunctional mannitol-1- phosphate dehydrogenase/phosphatase mtld from acinetobacter baumannii (see paper)
25% identity, 70% coverage: 9:168/229 of query aligns to 9:163/686 of 7ocqA

query
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7ocqA

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binding magnesium ion: D15 (= D15), D17 (≠ Y17)

Sites not aligning to the query:

Query Sequence

>WP_106713723.1 NCBI__GCF_003010955.1:WP_106713723.1
MSEARFENIEACVFDAYGTLLDFDSPARRAKDTLGKNAEALSSVWRQKQLEYTWLRSLMG
AYAPFWQVTGEALDYAMETLGIADNELRQRLMQLYLALNPFPDVAATLKVLKQAGIKTAI
LTNGTPEMIAAACSNAGIDGFFDAILSVDEVQIYKPHPSVYQLAVDRLGAAKERISFQSS
NCWDAIGASHFGFRVVWCNRYDQPLDQLSAKPDAVIKSLAELPPLIGIK

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