SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012411760.1 NCBI__GCF_000020025.1:WP_012411760.1 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)

O23346 Imidazoleglycerol-phosphate dehydratase 2, chloroplastic; IGPD 2; Protein HISTIDINE BIOSYNTHESIS 5B; EC 4.2.1.19 from Arabidopsis thaliana (Mouse-ear cress) (see 2 papers)
71% identity, 91% coverage: 20:213/213 of query aligns to 76:269/272 of O23346

query
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O23346

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E86 (= E30) binding substrate
H112 (= H56) binding Mn(2+)
112:120 (vs. 56:64, 78% identical) binding substrate
H138 (= H82) binding Mn(2+)
HHTNE 138:142 (= HHTNE 82:86) binding substrate
H139 (= H83) binding Mn(2+)
E142 (= E86) binding Mn(2+)
R164 (= R108) binding substrate
R186 (= R130) binding substrate
H210 (≠ E154) binding Mn(2+)
H234 (= H178) binding Mn(2+)
234:242 (vs. 178:186, 100% identical) binding substrate
H235 (= H179) binding Mn(2+)
E238 (= E182) binding Mn(2+)
SSK 264:266 (= SSK 208:210) binding substrate

Sites not aligning to the query:

73 E→Q: Loss of activity.

P34047 Imidazoleglycerol-phosphate dehydratase 1, chloroplastic; IGPD 1; Protein HISTIDINE BIOSYNTHESIS 5A; EC 4.2.1.19 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
70% identity, 91% coverage: 20:213/213 of query aligns to 74:267/270 of P34047

query
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P34047

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H110 (= H56) binding Mn(2+)
H136 (= H82) binding Mn(2+)
H137 (= H83) binding Mn(2+)
E140 (= E86) binding Mn(2+)
H208 (≠ E154) binding Mn(2+)
H232 (= H178) binding Mn(2+)
H233 (= H179) binding Mn(2+)
E236 (= E182) binding Mn(2+)

5el9A A. Thaliana igpd2 in complex with the triazole-phosphonate inhibitor, (s)-c348, to 1.1a resolution (see paper)
70% identity, 92% coverage: 18:213/213 of query aligns to 1:196/199 of 5el9A

query
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binding [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid: R91 (= R108), R113 (= R130), S191 (= S208), K193 (= K210)

5ekwA A. Thaliana igpd2 in complex with the racemate of the triazole- phosphonate inhibitor, c348 (see paper)
70% identity, 91% coverage: 18:211/213 of query aligns to 1:194/194 of 5ekwA

query
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binding [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid: R91 (= R108), R113 (= R130), S191 (= S208), K193 (= K210)
binding [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid: R91 (= R108), R113 (= R130), S191 (= S208), K193 (= K210)

4qnkA The structure of wt a. Thaliana igpd2 in complex with mn2+ and phosphate (see paper)
69% identity, 87% coverage: 18:202/213 of query aligns to 1:185/185 of 4qnkA

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binding manganese (ii) ion: H39 (= H56), H65 (= H82), E69 (= E86), H137 (≠ E154), H161 (= H178), E165 (= E182)
binding phosphate ion: Q43 (= Q60), H47 (= H64), K169 (= K186)

4mu1A The structure of wt a. Thaliana igpd2 in complex with mn2+, imidazole, and sulfate at 1.5 a resolution (see paper)
69% identity, 87% coverage: 18:202/213 of query aligns to 1:185/185 of 4mu1A

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binding imidazole: H65 (= H82), E69 (= E86)
binding manganese (ii) ion: H65 (= H82), E69 (= E86), H137 (≠ E154)

4mu0A The structure of wt a. Thaliana igpd2 in complex with mn2+ and 1,2,4- triazole at 1.3 a resolution (see paper)
69% identity, 87% coverage: 18:202/213 of query aligns to 1:185/185 of 4mu0A

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4mu0A

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R

R

T

E

T

T

G

K

E

E

T

T

D

N

V

V

Q

S

V

V

T

K

I

I

N

N

L

L

D

D

G

G

R

H

G

G

T

V

C

S

T

D

A

S

T

T

G

G

I

I

P

P

F

F

L

L

D

D

H

H

M

M

L

L

H

D

Q

Q

I

L

A

A

S

S

H

H

G

G

L

L

I

F

D

D

I

V

D

H

V

V

Q

R

A

A

K

T

G

G

D

D

L

T

E

H

I

I

D

D

H
|
H

T

T

N

N

E
|
E

D

D

V

V

G

A

I

L

T

A

L

I

G

G

Q

T

A

A

F

L

N

L

Q

K

A

A

L

L

G

G

D

E

R

R

K

K

G

G

I

I

V

N

R

R

F

F

G

G

N

D

F

F

L

T

A

A

P

P

L

L

D

D

E

E

A

A

L

L

V

I

Q

H

V

V

A

S

L

L

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

L

S

G

Y

Y

G

N

L

L

Q

E

I

I

P

P

T

T

Q

Q

R

R

V

V

G

G

T

T

Y

Y

D

D

T

T

Q

Q

L

L

V

V

R

E

E
x
H

F

F

V

Q

A

S

L

L

V

V

N

N

H

T

S

S

Q

G

M

M

T

T

L

L

H

H

I

I

R

R

Q

Q

L

L

D

A

G

G

I

K

N

N

S

S

H

H

I

I

E

E

A

A

T

T

F

F

K

K

A

A

F

F

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

T

E

E

I

S

D

D

P

P

R

R

binding manganese (ii) ion: H65 (= H82), E69 (= E86), H137 (≠ E154)
binding 1,2,4-triazole: H65 (= H82), H66 (= H83)

4mu3A The form a structure of an e21q catalytic mutant of a. Thaliana igpd2 in complex with mn2+ and a mixture of its substrate, 2r3s-igp, and an inhibitor, 2s3s-igp, to 1.12 a resolution (see paper)
68% identity, 87% coverage: 18:203/213 of query aligns to 1:186/186 of 4mu3A

query
sites
4mu3A

N

S

P

A

R

R

I

I

A

G

T

E

V

V

H

K

R

R

T

E

T

T

G

K

E
x
Q

T

T

D

N

V

V

Q

S

V

V

T

K

I

I

N

N

L

L

D

D

G

G

R

H

G

G

T

V

C

S

T

D

A

S

T

T

G

G

I

I

P

P

F

F

L

L

D

D

H

H

M

M

L

L

H

D

Q

Q

I

L

A

A

S

S

H

H

G

G

L

L

I

F

D

D

I

V

D

H

V

V

Q

R

A

A

K

T

G

G

D

D

L

T

E

H

I

I

D

D

H
|
H

T

T

N

N

E
|
E

D

D

V

V

G

A

I

L

T

A

L

I

G

G

Q

T

A

A

F

L

N

L

Q

K

A

A

L

L

G

G

D

E

R

R

K

K

G

G

I

I

V

N

R

R

F

F

G

G

N

D

F

F

L

T

A

A

P

P

L

L

D

D

E

E

A

A

L

L

V

I

Q

H

V

V

A

S

L

L

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

L

S

G

Y

Y

G

N

L

L

Q

E

I

I

P

P

T

T

Q

Q

R

R

V

V

G

G

T

T

Y

Y

D

D

T

T

Q

Q

L

L

V

V

R

E

E
x
H

F

F

V

Q

A

S

L

L

V

V

N

N

H

T

S

S

Q

G

M

M

T

T

L

L

H

H

I

I

R

R

Q

Q

L

L

D

A

G

G

I

K

N

N

S

S

H

H

I

I

E

E

A

A

T

T

F

F

K

K

A

A

F

F

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

T

E

E

I

S

D

D

P

P

R

R

A

G

binding (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate: H65 (= H82), H66 (= H83)
binding (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate: Q13 (≠ E30), H65 (= H82), H66 (= H83)
binding manganese (ii) ion: H65 (= H82), E69 (= E86), H137 (≠ E154)

8qavA Medicago truncatula hisn5 (igpd) in complex with mn and ig2 (see paper)
70% identity, 86% coverage: 20:202/213 of query aligns to 2:184/184 of 8qavA

query
sites
8qavA

R

R

I

I

A

G

T

E

V

M

H

K

R

R

T

V

T

T

G

K

E

E

T

T

D

N

V

V

Q

S

V

V

T

K

I

I

N

N

L

L

D

D

G

G

R

T

G

G

T

V

C

A

T

D

A

N

A

S

T

S

G

G

I

I

P

P

F

F

L

L

D

D

H
|
H

M

M

L

L

H

D

Q

Q

I

L

A

A

S

S

H

H

G

G

L

L

I

F

D

D

I

V

D

H

V

V

Q

K

A

A

K

T

G

G

D

D

L

T

E

H

I

I

D

D

H
|
H

T

T

N

N

E
|
E

D

D

V

V

G

A

I

L

T

A

L

I

G

G

Q

T

A

A

F

L

N

L

Q

Q

A

A

L

L

G

G

D

D

R

R

K

K

G

G

I

I

V

N

R

R

F

F

G

G

N

N

F

F

L

S

A

A

P

P

L

L

D

D

E

E

A

A

L

L

V

V

Q

H

V

V

A

S

L

L

D

D

F

L

S

S

G

G

R

R

P

P

H

H

L

L

S

G

Y

Y

G

D

L

L

Q

N

I

I

P

P

T

T

Q

Q

R

R

V

V

G

G

T

K

Y

Y

D

D

T

T

Q

Q

L

L

V

V

R

E

E
x
H

F

F

V

Q

A

S

L

L

V

V

N

N

H

T

S

S

Q

G

M

M

T

T

L

L

H

H

I

I

R

R

Q

Q

L

F

D

S

G

G

I

T

N

N

S

S

H
|
H

H

H

I

I

E
|
E

A

A

T

T

F

F

K

K

A

A

F

F

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

T

E

E

I

Y

D

D

P

T

R

R

binding (2S,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate: H64 (= H82), H65 (= H83)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H136 (≠ E154), H160 (= H178), E164 (= E182)

8qawA Medicago truncatula hisn5 (igpd) in complex with mn, imd, edo, fmt, gol and trs (see paper)
70% identity, 86% coverage: 20:202/213 of query aligns to 3:185/185 of 8qawA

query
sites
8qawA

R

R

I

I

A

G

T

E

V

M

H

K

R

R

T

V

T

T

G

K

E
|
E

T

T

D

N

V

V

Q

S

V

V

T

K

I

I

N

N

L

L

D

D

G

G

R

T

G

G

T

V

C

A

T

D

A

N

A

S

T

S

G

G

I

I

P

P

F

F

L

L

D

D

H
|
H

M

M

L

L

H

D

Q
|
Q

I

L

A

A

S

S

H
|
H

G

G

L

L

I

F

D

D

I

V

D

H

V

V

Q

K

A

A

K

T

G

G

D

D

L

T

E

H

I

I

D

D

H
|
H

T

T

N

N

E
|
E

D

D

V

V

G

A

I

L

T

A

L

I

G

G

Q

T

A

A

F

L

N

L

Q

Q

A

A

L

L

G

G

D

D

R

R

K

K

G

G

I

I

V

N

R

R

F

F

G

G

N

N

F

F

L

S

A

A

P

P

L

L

D

D

E

E

A

A

L

L

V

V

Q

H

V

V

A

S

L

L

D

D

F

L

S

S

G

G

R

R

P

P

H

H

L

L

S

G

Y

Y

G

D

L

L

Q

N

I

I

P

P

T

T

Q

Q

R

R

V

V

G

G

T

K

Y

Y

D

D

T

T

Q

Q

L

L

V

V

R

E

E
x
H

F

F

V

Q

A

S

L

L

V

V

N

N

H

T

S

S

Q

G

M

M

T

T

L

L

H

H

I

I

R

R

Q

Q

L

F

D

S

G

G

I

T

N

N

S

S

H
|
H

H

H

I

I

E
|
E

A

A

T

T

F

F

K
|
K

A

A

F

F

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

T

E

E

I

Y

D

D

P

T

R

R

binding glycerol: Q43 (= Q60), H47 (= H64), K169 (= K186)
binding imidazole: E13 (= E30), H66 (= H83), E69 (= E86)
binding manganese (ii) ion: H39 (= H56), H65 (= H82), E69 (= E86), H137 (≠ E154), H161 (= H178), E165 (= E182)

2f1dA X-ray structure of imidazoleglycerol-phosphate dehydratase (see paper)
69% identity, 85% coverage: 20:201/213 of query aligns to 2:183/183 of 2f1dA

query
sites
2f1dA

R

R

I

I

A

G

T

E

V

V

H

K

R

R

T

V

T

T

G

K

E

E

T

T

D

N

V

V

Q

S

V

V

T

K

I

I

N

N

L

L

D

D

G

G

R

T

G

G

T

V

C

A

T

D

A

S

T

S

G

G

I

I

P

P

F

F

L

L

D

D

H
|
H

M

M

L

L

H

D

Q

Q

I

L

A

A

S

S

H

H

G

G

L

L

I

F

D

D

I

V

D

H

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

H

I

I

D

D

H
|
H

H

H

T

T

N

N

E
|
E

D

D

V

I

G

A

I

L

T

A

L

I

G

G

Q

T

A

A

F

L

N

L

Q

K

A

A

L

L

G

G

D

E

R

R

K

K

G

G

I

I

V

N

R

R

F

F

G

G

N

D

F

F

L

T

A

A

P

P

L

L

D

D

E

E

A

A

L

L

V

I

Q

H

V

V

A

S

L

L

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

L

S

G

Y

Y

G

N

L

L

Q

E

I

I

P

P

T

T

Q

Q

R

R

V

V

G

G

T

T

Y

Y

D

D

T

T

Q

Q

L

L

V

V

R

E

E
x
H

F

F

V

Q

A

S

L

L

V

V

N

N

H

T

S

S

Q

G

M

M

T

T

L

L

H

H

I

I

R

R

Q

Q

L

L

D

A

G

G

I

E

N

N

S

S

H
|
H

H

H

I

I

E
|
E

A

A

T

T

F

F

K

K

A

A

F

F

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

T

E

E

I

T

D

D

P

P

R

R

binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H136 (≠ E154), H160 (= H178), E164 (= E182)

Q9S5G5 Histidine biosynthesis bifunctional protein HisB; EC 3.1.3.15; EC 4.2.1.19 from Escherichia coli O157:H7 (see paper)
47% identity, 94% coverage: 13:213/213 of query aligns to 160:355/355 of Q9S5G5

query
sites
Q9S5G5

D
x
E

Q
|
Q

S
x
L

T
|
T

K
x
R

N
x
R

P
x
D

R

R

I

Y

A

A

T

H

V

V

H

V

R

R

T

N

T

T

G

K

E

E

T

T

D

Q

V

I

Q

D

V

V

T

Q

I

V

N

W

L

L

D

D

G

R

R

E

G

G

T

G

C

S

T

K

A

I

A

N

T

T

G

G

I

V

P

G

F

F

L

F

D

D

H

H

M

M

L

L

H

D

Q

Q

I

I

A

A

S

T

H

H

G

G

L

G

I

F

D

R

I

M

D

E

V

I

Q

N

A

V

K

K

G

G

D

D

L

L

E

Y

I

I

D

D

H

H

T

T

N

V

E

E

D

D

V

T

G

G

I

L

T

A

L

L

G

G

Q

E

A

A

F

L

N

K

Q

I

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

C

R

R

F

F

G

G

N

-

F

F

L

V

A

L

P

P

L

M

D

D

E

E

A

C

L

L

V

A

Q

R

V

C

A

A

L

L

D

D

F

I

S

S

G

G

R

R

P

P

H

H

L

L

S

E

Y

Y

G

K

L

A

Q

E

I

F

P

T

T

Y

Q

Q

R

R

V

V

G

G

T

D

Y

L

D

S

T

T

Q

E

L

M

V

I

R

E

E

H

F

F

V

R

A

S

L

L

V

S

N

Y

H

T

S

M

Q

G

M

V

T

T

L

L

H

H

I

L

R

K

Q

T

L

-

D

K

G

G

I

K

N

N

S

D

H

H

I

R

I

V

E

E

A

S

T

L

F

F

K

K

A

A

F

F

A

G

R

R

A

T

T

L

R

R

L

Q

A

A

V

I

E

R

I

V

D

E

P

-

R

-

A

G

G

D

L

T

I

L

P

P

S

S

K

K

G

G

V

V

L

L

Sites not aligning to the query:

1:166 Histidinol-phosphatase
9 binding Mg(2+)
11 binding Mg(2+)
17 E→A: Severe decrease in histidinol-phosphate phosphatase activity in presence of low magnesium concentration. At higher magnesium concentration (5mM), no effect on activity.
93 binding Zn(2+)
95 binding Zn(2+)
101 binding Zn(2+)
103 binding Zn(2+)
130 binding Mg(2+)

6fwhA Acanthamoeba igpd in complex with r-c348 to 1.7a resolution (see paper)
45% identity, 92% coverage: 18:213/213 of query aligns to 1:195/196 of 6fwhA

query
sites
6fwhA

N

E

P

K

R

R

I

E

A

A

T

Q

V

V

H

A

R

R

T

E

T

T

G

G

E
|
E

T

T

D

K

V

I

Q

E

V

V

T

R

I

L

N

S

L

L

D

D

G

G

R

T

G

G

T

V

C

S

T

D

A

V

A

K

T

T

G

G

I

I

P

G

F

F

L

L

D

D

H
|
H

M

M

L

L

H

S

Q

A

I

L

A

A

S

K

H

H

G

G

L

R

I

F

D

D

I

L

D

Y

V

L

Q

R

A

C

K

A

G

G

D

D

L

L

E

H

I

V

D

D

H
|
H

T

T

N

S

E
|
E

D

D

V

C

G

A

I

I

T

V

L

L

G

G

Q

Q

A

A

F

F

N

R

Q

Q

A

A

L

I

G

G

D

E

R

R

K

K

G

G

I

I

V

K

R
|
R

F

Y

G

G

N

S

F

A

L

Y

A

A

P

P

L

L

D

D

E

E

A

S

L

L

V

A

Q

R

V

A

A

V

L

V

D

D

F

I

S

S

G

S

R
|
R

P

P

H

F

L

A

S

V

Y

I

G

D

L

L

Q

K

I

L

P

K

T

R

Q

E

R

K

V

I

G

G

T

E

Y

L

D

S

T

C

Q

E

L

M

V

I

R

P

E
x
H

F

V

F

L

V

H

A

S

L

F

V

A

N

T

H

S

S

A

Q

N

M

L

T

T

L

L

H

H

I

V

R

E

Q

V

L

L

D

Y

G

G

I

A

N

N

S

D

H
|
H

I

K

I

A

E
|
E

A

S

T

A

F

F

K

K

A

A

F

T

A

A

R

L

A

A

T

L

R

R

L

E

A

A

V

V

E

T

I

K

D

D

P

G

R

-

R

P

A

A

G

D

L

A

I

V

P

P

S
|
S

S

T

K
|
K

G

G

V

V

L

L

binding [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid: E13 (= E30), H39 (= H56), H65 (= H82), H66 (= H83), E69 (= E86), R91 (= R108), R113 (= R130), H161 (= H178), H162 (= H179), E165 (= E182), S190 (= S208), K192 (= K210)
binding manganese (ii) ion: H39 (= H56), H65 (= H82), E69 (= E86), H137 (≠ E154), H161 (= H178), E165 (= E182)

6fwhL Acanthamoeba igpd in complex with r-c348 to 1.7a resolution (see paper)
45% identity, 91% coverage: 20:213/213 of query aligns to 2:194/195 of 6fwhL

query
sites
6fwhL

R

R

I

E

A

A

T
x
Q

V

V

H

A

R

R

T

E

T

T

G

G

E
|
E

T

T

D

K

V

I

Q

E

V

V

T

R

I

L

N

S

L

L

D

D

G

G

R

T

G

G

T

V

C

S

T

D

A

V

A

K

T

T

G

G

I

I

P

G

F

F

L

L

D

D

H
|
H

M

M

L

L

H

S

Q

A

I

L

A

A

S

K

H

H

G

G

L

R

I

F

D

D

I

L

D

Y

V

L

Q

R

A

C

K

A

G

G

D

D

L

L

E

H

I

V

D

D

H
|
H

T

T

N

S

E
|
E

D

D

V

C

G

A

I

I

T

V

L

L

G

G

Q

Q

A

A

F

F

N

R

Q
|
Q

A

A

L

I

G

G

D

E

R

R

K

K

G

G

I

I

V

K

R
|
R

F

Y

G

G

N

S

F

A

L

Y

A

A

P

P

L

L

D

D

E

E

A

S

L

L

V

A

Q

R

V

A

A

V

L

V

D

D

F

I

S

S

G

S

R
|
R

P

P

H

F

L

A

S

V

Y

I

G

D

L

L

Q

K

I

L

P

K

T

R

Q

E

R

K

V

I

G

G

T

E

Y

L

D

S

T

C

Q

E

L

M

V

I

R

P

E
x
H

F

V

F

L

V

H

A

S

L

F

V

A

N

T

H

S

S

A

Q

N

M

L

T

T

L

L

H

H

I

V

R

E

Q

V

L

L

D

Y

G

G

I

A

N

N

S

D

H
|
H

I

K

I

A

E
|
E

A

S

T

A

F

F

K

K

A

A

F

T

A

A

R

L

A

A

T

L

R

R

L

E

A

A

V

V

E

T

I

K

D

D

P

G

R

-

R

P

A

A

G

D

L

A

I

V

P

P

S
|
S

S

T

K
|
K

G

G

V

V

L

L

binding [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid: E12 (= E30), H38 (= H56), H64 (= H82), H65 (= H83), E68 (= E86), R90 (= R108), R112 (= R130), H160 (= H178), H161 (= H179), E164 (= E182), S189 (= S208), K191 (= K210)
binding magnesium ion: Q5 (≠ T23), Q80 (= Q98)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H136 (≠ E154), H160 (= H178), E164 (= E182)

P9WML9 Imidazoleglycerol-phosphate dehydratase; IGPD; EC 4.2.1.19 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
44% identity, 86% coverage: 30:213/213 of query aligns to 21:210/210 of P9WML9

query
sites
P9WML9

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M
|
M

L
|
L

H
x
T

Q
x
A

I
x
L

A
x
G

S
|
S

H
|
H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

T
|
T

N
x
I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L

M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

I
|
I

I
x
T

E
|
E

A
|
A

T
x
Q

F
x
Y

K
|
K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

R

V

A

S

G

G

L

-

I

V

P

P

S

S

S

T

K

K

G

G

V

A

L

L

H47 (= H56) binding Mn(2+)
47:55 (vs. 56:64, 56% identical) binding substrate
H73 (= H82) binding Mn(2+)
HHTIE 73:77 (≠ HHTNE 82:86) binding substrate
H74 (= H83) binding Mn(2+)
E77 (= E86) binding Mn(2+)
H152 (≠ E154) binding Mn(2+)
H176 (= H178) binding Mn(2+)
176:184 (vs. 178:186, 67% identical) binding substrate
H177 (= H179) binding Mn(2+)
E180 (= E182) binding Mn(2+)

5xdsA Crystal structure of mycobacterium tuberculosis hisb bound with an inhibitor (see paper)
44% identity, 81% coverage: 30:201/213 of query aligns to 12:190/191 of 5xdsA

query
sites
5xdsA

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M

M

L

L

H

T

Q

A

I

L

A

G

S

S

H

H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

T

T

N

I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L

M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

H

H

I

I

I

T

E
|
E

A

A

T

Q

F

Y

K

K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

binding (2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid: H64 (= H82), H65 (= H83), E68 (= E86)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H143 (≠ E154), H167 (= H178), E171 (= E182)

4lomA Crystal structure of mycobacterium tuberculosis hisb in complex with its substrate
44% identity, 81% coverage: 30:201/213 of query aligns to 12:190/191 of 4lomA

query
sites
4lomA

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M

M

L

L

H

T

Q

A

I

L

A

G

S

S

H

H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

H

H

T

T

N

I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L
x
M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

I

I

I

T

E
|
E

A

A

T

Q

F

Y

K
|
K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

binding (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate: H38 (= H56), M98 (≠ L116), H167 (= H178), H168 (= H179), E171 (= E182), K175 (= K186)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H143 (≠ E154), H167 (= H178), E171 (= E182)

4gquA Crystal structure of hisb from mycobacterium tuberculosis
44% identity, 81% coverage: 30:201/213 of query aligns to 12:190/191 of 4gquA

query
sites
4gquA

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M

M

L

L

H

T

Q

A

I

L

A

G

S

S

H

H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

H

H

T

T

N

I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L

M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

H

H

I

I

I

T

E
|
E

A

A

T

Q

F

Y

K

K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H143 (≠ E154), H167 (= H178), E171 (= E182)

7fcyA Crystal structure of m.Tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
44% identity, 81% coverage: 30:201/213 of query aligns to 12:190/190 of 7fcyA

query
sites
7fcyA

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M

M

L

L

H

T

Q

A

I

L

A

G

S

S

H

H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

H

H

T

T

N

I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L
x
M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

I

I

I

T

E
|
E

A

A

T

Q

F

Y

K

K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

binding (1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine: H38 (= H56), M98 (≠ L116), H167 (= H178), H168 (= H179), E171 (= E182)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H143 (≠ E154), H167 (= H178), E171 (= E182)

7dnqA Crystal structure of m.Tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
44% identity, 81% coverage: 30:201/213 of query aligns to 12:190/190 of 7dnqA

query
sites
7dnqA

E

E

T

S

D

D

V

I

Q

V

V

I

T

E

I

L

N

D

L

L

D

D

G

G

R

T

G

G

T

Q

C

V

T

A

A

V

A

D

T

T

G

G

I

V

P

P

F

F

L

Y

D

D

H
|
H

M

M

L

L

H

T

Q

A

I

L

A

G

S

S

H

H

G

A

L

S

I

F

D

D

I

L

D

T

V

V

Q

R

A

A

K

T

G

G

D

D

L

V

E

E

I

I

D

E

D

A

H
|
H

T

T

N

I

E
|
E

D

D

V

T

G

A

I

I

T

A

L

L

G

G

Q

T

A

A

F

L

N

G

Q

Q

A

A

L

L

G

G

D

D

R

K

K

R

G

G

I

I

V

R

R

R

F

F

G

G

N

D

F

A

L

F

A

I

P

P

L

M

D

D

E

E

A

T

L

L

V

A

Q

H

V

A

A

A

L

V

D

D

F

L

S

S

G

G

R

R

P

P

H

Y

L

C

S

V

Y

H

-

T

-

G

-

E

-

P

-

D

-

H

-

L

-

Q

-

H

-

T

-

I

-

A

G

G

L

S

Q

S

I

V

P

P

T

-

Q

-

R

-

V

-

G

-

T

-

Y

Y

D

H

T

T

Q

V

L

I

V

N

R

R

E
x
H

F

V

F

F

V

E

A

S

L

L

V

A

N

A

H

N

S

A

Q

R

M

I

T

A

L

L

H

H

I

V

R

R

Q

V

L

L

D

Y

G

G

I

R

N

D

S

P

H
|
H

H

H

I

I

I

T

E
|
E

A

A

T

Q

F

Y

K

K

A

A

F

V

A

A

R

R

A

A

T

L

R

R

L

Q

A

A

V

V

E

E

I

P

D

D

P

P

R

R

binding 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine: H64 (= H82), H65 (= H83), E68 (= E86)
binding manganese (ii) ion: H38 (= H56), H64 (= H82), E68 (= E86), H143 (≠ E154), H167 (= H178), E171 (= E182)

Query Sequence

>WP_012411760.1 NCBI__GCF_000020025.1:WP_012411760.1
MQTTNRQVNSNYDQSTKNPRIATVHRTTGETDVQVTINLDGRGTCTAATGIPFLDHMLHQ
IASHGLIDIDVQAKGDLEIDDHHTNEDVGITLGQAFNQALGDRKGIVRFGNFLAPLDEAL
VQVALDFSGRPHLSYGLQIPTQRVGTYDTQLVREFFVALVNHSQMTLHIRQLDGINSHHI
IEATFKAFARATRLAVEIDPRRAGLIPSSKGVL

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