SitesBLAST

P16250 Phosphoribosyl isomerase A; 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase; N-(5'-phosphoribosyl)anthranilate isomerase; PRAI; Phosphoribosylformimino-5-aminoimidazole carboxamide ribotide isomerase; EC 5.3.1.16; EC 5.3.1.24 from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see paper)
39% identity, 97% coverage: 3:240/245 of query aligns to 4:237/240 of P16250

query
sites
P16250

F

L

E

E

V

L

I

L

P

P

A

A

V

V

D
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D

M

V

R

R

G

D

G

G

K

Q

C

A

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V

Q
x
R

L

L

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V

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H

G

G

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E

P

S

G

G

S

T

E

E

I

-

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T

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Y

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A

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W

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A

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H

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D

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L

D

D

G

A

A

A

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G

G

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D

N

N

A

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P

A

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L

I

I

E

A

K

E

I

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A

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Q

A

A

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M

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D

E

-

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-

G

-

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I

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G
x
S

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G

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I

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S

D

F

D

E

D

D

T

A

L

A

A

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A

L

A

L

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E

A

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G

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A

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T

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x
D

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G

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A

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A

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E

D11 (= D10) mutation to A: No activity.
R19 (≠ Q18) mutation to A: No effect on activity toward PRA. No activity toward ProFAR.
S81 (≠ G85) mutation to T: No activity toward PRA. Almost no effect on activity toward ProFAR.
D130 (= D135) mutation to A: Very low activity toward PRA. No activity toward ProFAR.; mutation to Q: No activity.
T166 (= T172) mutation to A: No activity.
D171 (≠ E177) mutation to A: Low activity toward PRA. No activity toward ProFAR.

4tx9A Crystal structure of hisap from streptomyces sviceus with degraded profar (see paper)
37% identity, 98% coverage: 3:242/245 of query aligns to 9:244/246 of 4tx9A

query
sites
4tx9A

F

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x
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D

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L

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-

P

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L

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G

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E

G

G

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K

A

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T

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T

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V

active site: D16 (= D10), D135 (= D135)
binding aminoimidazole 4-carboxamide ribonucleotide: G28 (= G22), V57 (= V52), L59 (= L54), S86 (≠ G85), G88 (= G87), R90 (= R89), G109 (= G108), T110 (= T109), D135 (= D135), G145 (= G145), W146 (= W146)

5abtA S.Enterica hisa mutant d7n, g102a, v106m, d176a
33% identity, 98% coverage: 5:244/245 of query aligns to 2:244/246 of 5abtA

query
sites
5abtA

V

I

I

I

P

P

A

A

V

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D
x
N

M

L

R

I

G

D

G

G

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Q

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G
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G

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D

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Y

G

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S

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L

G

N

N

D

D

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D

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Y

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A

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T

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H

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V

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D

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R

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D

D

A

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L

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L

A

G

G

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R

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x
V

L

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x
A

T
x
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M

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P

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D

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T

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D

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D

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T

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E

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G

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T

M

L

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A

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G

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N

N

P

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G

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P

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T

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R

E

E

E

L

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V

C

E

A

S

R

V

Y

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P

S

Q

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P

A

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F

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A

S

S
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S

G
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G

G

G

V

I

S

G

S

D

L

I

E

D

D

D

L

I

K

A

V

A

L

L

K

R

Q

G

T

T

G

G

A

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S

R

G

G

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V

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x
I

V

V

G
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G

S
x
R

A

A

L

L

Y

L

T

E

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G

R

K

F

F

T

T

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A

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A

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T

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Q

N

N

active site: N7 (≠ D10), D129 (= D135)
binding [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate: N7 (≠ D10), G19 (= G22), V49 (= V52), L51 (= L54), G81 (= G87), R83 (= R89), V100 (≠ I106), A102 (≠ G108), S103 (≠ T109), D129 (= D135), G144 (= G145), W145 (= W146), G177 (= G178), S202 (= S202), G203 (= G203), I223 (≠ V223), G225 (= G225), R226 (≠ S226)

1h5yB Hisf protein from pyrobaculum aerophilum (see paper)
38% identity, 86% coverage: 1:211/245 of query aligns to 3:213/253 of 1h5yB

query
sites
1h5yB

M

M

A

A

F

L

E

R

V

I

I

I

P

P

A

C

V

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D
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D

M

I

R

D

G

G

K

A

C

K

V

V

Q

-

L

V

V

V

Q
x
K

G

G

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V

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N

G

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D

D

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P

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A

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Y

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A

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L

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D

L

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D

T

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A

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G

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K

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R

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G
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S

F

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E

D

D

A

A

A

T

S

T

L

L

L

F

E

R

L

A

G

G

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G
x
N

T
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T

A

A

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N

N

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Q

L

L

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V

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A

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L

L

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D

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A

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F

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S

S

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C

S

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T

N

V

V

V

A
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A

L

I

D
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D

A

A

K

K

-

W

N

N

G

G

-

E

-

Y

K

E

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S

Y

I

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K

K

G
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G

W

G

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R

E

E

E

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T

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Q

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D

P

A

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E

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F

V

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E

L

L

G

G

A

A

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G

S

E

L

I

L

L

F

L

T
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T

N

S

I

I

D

D

T

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E
x
D

G
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G

L

T

M

G

Q

L

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Y

N

D

P

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E

P

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E

R

L

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E

D

S

S

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G

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D

H

L

F

active site: D12 (= D10), D133 (= D135)
binding glycerol: K22 (≠ Q21), N106 (≠ G108), A131 (= A133), D133 (= D135), G147 (= G145), T174 (= T172), D179 (≠ E177)
binding phosphate ion: G84 (= G86), G85 (= G87), N106 (≠ G108), T107 (= T109), D179 (≠ E177), G180 (= G178)

Sites not aligning to the query:

binding phosphate ion: 226, 227, 228

5ab3A S.Enterica hisa mutant d7n, d10g, dup13-15, q24l, g102a (see paper)
33% identity, 98% coverage: 5:244/245 of query aligns to 2:241/241 of 5ab3A

query
sites
5ab3A

V

I

I

I

P

P

A

A

V

L

D
x
N

M

L

R

I

G

G

-

T

-

V

K

R

C

V

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Q
x
R

L

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Q

Q

G

G

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D

P
x
Y

G

A

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D

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L

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N

N

D

D

P

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L

L

A

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Q

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D

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A

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L

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D

D

L

L

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G

G

A

A

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K

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I

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N

E

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K

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L

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x
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A
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L

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D
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D

A

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K

R

-

I

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D

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H

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A

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H

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L

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N

D

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G
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G

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A

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N

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E

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S

S
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S

G
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G

V

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G

S

D

L

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E

D

D

D

L

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A

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G

A

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R

G

G

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V

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V

G
|
G

S
x
R

A

A

L

L

Y

L

T

E

G

G

R

K

F

F

T

T

L

V

E

K

A

E

A

A

I

I

E

Q

T

C

I

W

R

Q

N

N

active site: N7 (≠ D10), D132 (= D135)
binding [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate: N7 (≠ D10), R18 (≠ Q18), Y24 (≠ P24), V52 (= V52), G84 (= G87), A105 (≠ G108), S106 (≠ T109), A130 (= A133), D132 (= D135), G174 (= G178), S199 (= S202), G200 (= G203), G201 (= G204), G222 (= G225), R223 (≠ S226)

Q9X0C7 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase; Phosphoribosylformimino-5-aminoimidazole carboxamide ribotide isomerase; EC 5.3.1.16 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
31% identity, 95% coverage: 5:236/245 of query aligns to 3:234/241 of Q9X0C7

query
sites
Q9X0C7

V

V

I

V

P

P

A

A

V

I

D
|
D

M

L

R

F

G

R

G

G

K

K

C

V

V

A

Q

R

L

M

V

I

Q

K

G

G

V

R

P

K

G

E

S

N

E

T

I

I

V

F

S

Y

L

E

N

K

D

D

P

P

L

V

A

E

V

L

A

V

L

E

D

K

W

L

I

I

G

E

K

E

G

G

A

F

K

T

T

L

L

I

H
|
H

L

V

V

V

D
|
D

L

L

D

S

G

N

A

A

I

I

E

E

G

N

E

S

R

G

K

E

N

N

A

L

P

P

I

V

I

L

E

E

K

K

I

L

V

S

Q

E

A

F

C

A

R

E

E

-

K

-

G

-

V

-

S

H

I

I

Q

Q

V

I

G

G

I

I

R
|
R

S

S

F

L

E

D

D

Y

A

A

A

E

S

K

L

L

L

R

E

K

L

L

G

G

V

Y

S

R

R

R

I

Q

I

I

L

V

G

S

T

S

A

K

A

V

L

L

Q

E

N

D

P

P

E

S

L

F

V

L

K

K

Q

S

L

L

S

R

D

E

A

I

F

D

G

V

S

E

S

P

C

V

V

F

N

-

V

-

A

S

L

L

D
|
D

A

T

K

R

N

G

G

G

K

R

I

V

S

A

I

F

K

K

G

G

W

W

T

L

E

A

E

E

C

E

A

E

Q

I

T

D

P

P

V

V

E

S

M

L

G

L

R

K

E

R

F

L

E

K

E

E

L

Y

G

G

A

L

G

E

S

E

L

I

L

V

F

H

T
|
T

N

E

I

I

D

E

T

K

E

D

G

G

L

T

M

L

Q

Q

G

E

V

H

N

D

P

F

G

S

P

L

T

T

R

K

E

K

L

I

V

A

E

I

S

E

V

A

S

E

I

V

P

K

V

V

I

L

A

A

S

A

G

G

V

I

S

S

L

E

E

N

D

S

L

L

K

K

V

T

L

A

K

Q

Q

K

T

V

G

H

A

T

-

E

-

T

-

N

-

G

-

L

S

K

G

G

V

V

V

I

V

V

G

G

S

R

A

A

L

F

Y

L

T

E

G

G

R

I

F

L

T

T

L

V

E

E

D8 (= D10) mutation to N: Loss of activity.
H48 (= H50) mutation to A: Decrease in activity.
D51 (= D53) mutation to N: Decrease in activity.
R83 (= R89) mutation to N: Decrease in activity.
D127 (= D135) mutation to N: Almost no activity.
T164 (= T172) mutation to A: Strong decrease in activity.

3zs4A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound prfar
34% identity, 100% coverage: 1:244/245 of query aligns to 1:244/244 of 3zs4A

query
sites
3zs4A

M

M

A

P

F

L

E

I

V

L

I

L

P

P

A
|
A

V

V

D
|
D

M

V

R

V

G

E

G

G

K

R

C

A

V

V

Q
x
R

L

L

V

V

Q

Q

G

G

V

K

P

A

G

G

S

S

E

Q

I

-

V

T

S

E

L

Y

N

G

D

S

P

A

L

V

A

D

V

A

A

A

L

L

D

G

W

W

I

Q

G

R

K

D

G

G

A

A

K

E

T

W

L

I

H

H

L

L

V

V

D

D

L

L

D

D

G

A

A
|
A

I
x
F

E

-

G

G

E

R

R

G

K

S

N

N

A

H

P

E

I

L

E

A

K

E

I

V

V

V

Q

G

A

-

C

-

R

-

E

K

K

L

G

D

V

V

S

Q

I

V

Q

E

V

L

G
x
S

G

G

G
|
G

I

I

R
|
R

S

D

F

D

E

E

D

S

A

L

A

A

S

A

L

A

L

L

E

A

L

T

G

G

V

C

S

A

R

R

I

V

I

N

L

V

G
|
G

T
|
T

A

A

L

L

Q

E

N

N

P

P

E

Q

L

W

V

C

K

A

Q

R

L

V

S

I

D

G

A

E

F

H

G

G

S

D

S

Q

C

-

V

V

N

A

V

V

A

G

L

L

D
|
D

A

V

K

Q

-

I

-

D

-

G

N

E

G

H

K

R

I

L

S

R

I

G

K

R

G
|
G

W
|
W

T

E

E

T

E

D

C

G

A

G

Q

D

T

L

P

W

V

D

E

V

M

L

G

E

R

R

E

-

F

L

E

D

E

S

L

E

G

G

A

C

G

S

S

R

L

F

L

V

F

V

T

T

N

D

I

I

D

T

T

K

E
x
D

G
|
G

L

T

M

L

Q

G

G

G

V

P

N

N

P

L

G

D

P

L

T

L

R

A

E

G

L

V

V

A

E

D

S

R

V

T

S

D

I

A

P

P

V

V

I

I

A

A

S

S

G
|
G

V

V

S

S

L

L

E

D

D

D

L

L

K

R

-

A

-

I

-

A

V

T

L

L

K

T

Q

H

T

R

G

G

A

V

S

E

G

G

V

A

V
x
I

V

V

G
|
G

S
x
K

A

A

L

L

Y

Y

T

A

G

R

R

R

F

F

T

T

L

L

E

P

A

Q

A

A

I

L

E

A

T

A

I

V

R

R

N

D

active site: D10 (= D10), D129 (= D135)
binding phosphoric acid mono-[5-({[5-carbamoyl-3-(5-phosphonooxy-5-deoxy-ribofuranosyl)- 3h-imidazol-4-ylamino]-methyl}-amino)-2,3,4-trihydroxy-pentyl] ester: A8 (= A8), D10 (= D10), R18 (≠ Q18), A56 (= A57), F57 (≠ I58), S80 (≠ G85), G82 (= G87), R84 (= R89), G103 (= G108), T104 (= T109), D129 (= D135), G143 (= G145), W144 (= W146), D174 (≠ E177), G175 (= G178), G200 (= G203), G201 (= G204), I223 (≠ V223), G225 (= G225), K226 (≠ S226)

2y88A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase (variant d11n) with bound prfar (see paper)
34% identity, 100% coverage: 1:244/245 of query aligns to 1:244/244 of 2y88A

query
sites
2y88A

M

M

A

P

F

L

E

I

V

L

I

L

P

P

A
|
A

V

V

D
x
N

M

V

R

V

G

E

G

G

K

R

C

A

V

V

Q
x
R

L

L

V

V

Q

Q

G
|
G

V

K

P

A

G

G

S

S

E

Q

I

-

V

T

S

E

L

Y

N

G

D

S

P

A

L

V

A

D

V

A

A

A

L

L

D

G

W

W

I

Q

G

R

K

D

G

G

A

A

K

E

T

W

L

I

H

H

L

L

V

V

D

D

L
|
L

D

D

G

A

A
|
A

I

F

E

-

G

G

E

R

R

G

K

S

N

N

A

H

P

E

I

L

E

A

K

E

I

V

V

V

Q

G

A

-

C

-

R

-

E

K

K

L

G

D

V

V

S

Q

I

V

Q

E

V

L

G
x
S

G
|
G

I

I

R
|
R

S

D

F

D

E

E

D

S

A

L

A

A

S

A

L

A

L

L

E

A

L

T

G

G

V

C

S

A

R

R

I

V

I

N

L

V

G
|
G

T
|
T

A

A

L

L

Q

E

N

N

P

P

E

Q

L

W

V

C

K

A

Q

R

L

V

S

I

D

G

A

E

F

H

G

G

S

D

S

Q

C

-

V

V

N

A

V

V

A

G

L

L

D
|
D

A

V

K

Q

-

I

-

D

-

G

N

E

G

H

K

R

I

L

S

R

I

G

K

R

G
|
G

W
|
W

T

E

E

T

E

D

C

G

A

G

Q

D

T

L

P

W

V

D

E

V

M

L

G

E

R

R

E

-

F

L

E

D

E

S

L

E

G

G

A

C

G

S

S

R

L

F

L

V

F

V

T

T

N

D

I

I

D

T

T

K

E
x
D

G
|
G

L

T

M

L

Q

G

G

G

V

P

N

N

P

L

G

D

P

L

T

L

R

A

E

G

L

V

V

A

E

D

S

R

V

T

S

D

I

A

P

P

V

V

I

I

A

A

S
|
S

G
|
G

G

G

V

V

S

S

L

L

E

D

D

D

L

L

K

R

-

A

-

I

-

A

V

T

L

L

K

T

Q

H

T

R

G

G

A

V

S

E

G

G

V

A

V

I

V

V

G
|
G

S
x
K

A

A

L

L

Y

Y

T

A

G

R

R

R

F

F

T

T

L

L

E

P

A

Q

A

A

I

L

E

A

T

A

I

V

R

R

N

D

active site: N10 (≠ D10), D129 (= D135)
binding [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(z)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate: A8 (= A8), N10 (≠ D10), R18 (≠ Q18), G22 (= G22), L53 (= L54), A56 (= A57), S80 (≠ G85), G81 (= G86), G82 (= G87), R84 (= R89), G103 (= G108), T104 (= T109), D129 (= D135), G143 (= G145), W144 (= W146), D174 (≠ E177), G175 (= G178), S199 (= S202), G200 (= G203), G225 (= G225), K226 (≠ S226)

2y85A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound rcdrp (see paper)
32% identity, 99% coverage: 1:243/245 of query aligns to 1:234/234 of 2y85A

query
sites
2y85A

M

M

A

P

F

L

E

I

V

L

I

L

P

P

A

A

V

V

D
|
D

M

V

R

V

G

E

G

G

K

R

C

A

V

V

Q

R

L

T

V

E

Q

Y

G

G

V

-

P

-

G

-

S

-

E

-

I

-

V

-

S

-

L

-

N

-

D

S

P

A

L

V

A

D

V

A

A

A

L

L

D

G

W

W

I

Q

G

R

K

D

G

G

A

A

K

E

T

W

L

I

H
|
H

L

L

V
|
V

D

D

L
|
L

D

D

G

A

A
|
A

I

F

E

-

G

G

E

R

R

G

K

S

N

N

A

H

P

E

I

L

E

A

K

E

I

V

V

V

Q

G

A

-

C

-

R

-

E

K

K

L

G

D

V

V

S

Q

I

V

Q

E

V

L

G
x
S

G

G

I

I

R

R

S

D

F

D

E

E

D

S

A

L

A

A

S

A

L

A

L

L

E

A

L

T

G

G

V

C

S

A

R

R

I

V

I

N

L

V

G

G

T

T

A

A

L

L

Q

E

N

N

P

P

E

Q

L

W

V

C

K

A

Q

R

L

V

S

I

D

G

A

E

F

H

G

G

S

D

S

Q

C

-

V

V

N

A

V

V

A

G

L

L

D
|
D

A

V

K

Q

-

I

-

D

-

G

N

E

G

H

K

R

I

L

S

R

I

G

K
x
R

G

G

W

W

T

E

E

T

E

D

C

G

A

G

Q

D

T

L

P

W

V

D

E

V

M

L

G

E

R

R

E

-

F

L

E

D

E

S

L

E

G

G

A

C

G

S

S

R

L

F

L

V

F

V

T

T

N

D

I

I

D

T

T

K

E
x
D

G
|
G

L

T

M

L

Q

G

G

G

V

P

N

N

P

L

G

D

P

L

T

L

R

A

E

G

L

V

V

A

E

D

S

R

V

T

S

D

I

A

P

P

V

V

I

I

A

A

S
|
S

G
|
G

V

V

S

S

L

L

E

D

D

D

L

L

K

R

-

A

-

I

-

A

V

T

L

L

K

T

Q

H

T

R

G

G

A

V

S

E

G

G

V

A

V

I

V

V

G
|
G

S
x
K

A

A

L

L

Y

Y

T

A

G

R

R

R

F

F

T

T

L

L

E

P

A

Q

A

A

I

L

E

A

T

A

I

V

R

R

active site: D10 (= D10), D120 (= D135)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: D10 (= D10), H40 (= H50), V42 (= V52), L44 (= L54), A47 (= A57), S71 (≠ G85), R133 (≠ K144), D165 (≠ E177), G166 (= G178), S190 (= S202), G191 (= G203), G192 (= G204), G216 (= G225), K217 (≠ S226)

P60664 Imidazole glycerol phosphate synthase subunit HisF; IGP synthase cyclase subunit; IGP synthase subunit HisF; ImGP synthase subunit HisF; IGPS subunit HisF; EC 4.3.2.10 from Escherichia coli (strain K12) (see paper)
26% identity, 93% coverage: 1:229/245 of query aligns to 2:235/258 of P60664

query
sites
P60664

M

L

A

A

F

K

E
x
R

V

I

I

I

P

P

A

C

V

L

D

D

M

V

R

R

G

D

G

G

K

-

C

-

V

-

Q

Q

L

V

V

V

Q

K

G

G

V

V

P

Q

G

F

S

R

E

N

I

H

V

E

S

I

L

I

N

G

D

D

P

I

L

V

A

P

V

L

A

A

L

K

D

R

W

Y

I

A

G

E

K

E

G

G

A

A

K

D

T
x
E

L

L

H

V

L

F

V

Y

D

D

L

I

D

T

G

A

A

S

I

S

E

D

G

G

E

R

R

V

K

V

N

D

A

K

P

S

I

W

I

V

E

S

K

R

I

V

V

A

Q

E

A

V

C

I

R

-

E

-

K

-

G

D

V

I

S

P

I

F

Q

C

V

V

G

A

G

G

I

I

R

K

S

S

F

L

E

E

D

D

A

A

S

K

L

I

L

L

E

S

L

F

G

G

V

A

S

D

R

K

I

I

I

S

L

I

G

N

T

S

A

P

A

A

L

L

Q

A

N

D

P

P

E

T

L

L

V

I

K

T

Q

R

L

L

S

A

D

D

A

R

F

F

G

G

S

V

S
x
Q

C
|
C

V

I

N

V

V

V

A

G

L

I

-

D

-

T

-

W

-

Y

D

D

A

A

K

E

N

T

G

G

K

K

I

Y

S

H

I

V

K

N

G

Q

W

Y

T

T

E

G

E

D

C

E

A

S

Q

R

T

T

P

R

V

V

-

T

-

Q

-

W

-

E

-

T

-

L

E

D

M

W

G

V

R

Q

E

E

F

V

E

Q

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

V

F

L

T

N

N

M

I

M

D

N

T

Q

E

D

G

G

L

V

M

R

Q

N

G

G

V

Y

N

D

P

L

G

E

P

Q

T

L

R

K

E

K

L

V

V

R

E

E

S

V

V

C

S

H

I

V

P

P

V

L

I

I

A

A

S

S

G

G

V

A

S

G

S

T

L

M

E

E

D

H

-

F

L

L

K

E

V

A

L

F

K

R

Q

D

T

A

G

D

A

V

S

D

G

G

V

A

V

L

V

A

G

A

S

S

A

V

L

F

Y

H

R5 (≠ E4) mutation to A: Loss of activity.; mutation to H: Loss of IGP synthase activity. Weak IGP synthase activity and reduced HisH activity in vitro.
E46 (≠ T48) mutation to A: Loss of activity.; mutation to G: Loss of IGP synthase activity. Weak IGP synthase and HisH activities in vitro.
Q123 (≠ S128) mutation to A: Decrease in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.
C124 (= C129) mutation to A: No change in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.

7ac8A Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. (see paper)
28% identity, 86% coverage: 1:211/245 of query aligns to 2:210/252 of 7ac8A

query
sites
7ac8A

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

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V

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D
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D

M

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K

G

D

G

G

K

R

C

-

V

-

Q

-

L

V

V

V

Q

K

G

G

V

T

P

N

G

F

S

E

E

N

I

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L

S

N

G

D

D

P

P

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V

A

E

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A

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Y

I

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G

A

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E

L

L

H

V

L

F

V
x
L

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D

L
x
I

D

T

G

A

A

S

I

V

E

E

G

K

E

R

R

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M

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K

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A

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I

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-

E

-

K

-

G

D

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P

I

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Q

T

V

V

G

G

G
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G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G
x
N

T
|
T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D
|
D

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

T

T

E

Y

E
x
S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E
x
D

G
|
G

L

T

M

K

Q

S

G

G

V

Y

N

D

P

T

G

E

P

M

T

I

R

R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S
|
S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

active site: D11 (= D10), D130 (= D135)
binding [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate: L50 (≠ V52), I52 (≠ L54), G82 (= G87), N103 (≠ G108), T104 (= T109), D130 (= D135), S144 (≠ E149), D176 (≠ E177), G177 (= G178), S201 (= S202)

Sites not aligning to the query:

binding [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate: 225

Q9X0C6 Imidazole glycerol phosphate synthase subunit HisF; IGP synthase cyclase subunit; IGP synthase subunit HisF; ImGP synthase subunit HisF; IGPS subunit HisF; EC 4.3.2.10 from Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8) (see paper)
28% identity, 86% coverage: 1:211/245 of query aligns to 2:210/253 of Q9X0C6

query
sites
Q9X0C6

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A
x
C

V

L

D
|
D

M

V

R

K

G

D

G

G

K

R

C

-

V

-

Q

-

L

V

V

V

Q
x
K

G

G

V

T

P

N

G

F

S

E

E

N

I

L

V

R

S

D

L

S

N

G

D

D

P

P

L

V

A

E

V

L

A

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F

W

Y

I

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G

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G

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D

L

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D

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A

A

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G

K

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R

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N

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A

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A

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E

A

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-

E

-

K

-

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T

A

A

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E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G
x
N

T

T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

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V

A

A

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I

D
|
D

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

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T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E
x
D

G

G

L

T

M

K

Q

S

G

G

V

Y

N
x
D

P

T

G

E

P

M

T

I

R

R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

C9 (≠ A8) mutation to A: No change in activity.
D11 (= D10) mutation to X: Loss of activity.
K19 (≠ Q21) mutation to S: Decrease in activity.
D51 (= D53) mutation to N: No change in activity.
N103 (≠ G108) mutation to A: No change in activity.
D130 (= D135) mutation D->A,C,F,G,H,I,K,L,M,N,P,Q,R,S,T,V,W,Y: Complete loss of activity.; mutation to E: Weak activity.
D176 (≠ E177) mutation to N: Decrease in activity.
D183 (≠ N184) mutation to N: No change in activity.

1gpwC Structural evidence for ammonia tunneling across the (beta/alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex. (see paper)
28% identity, 86% coverage: 1:211/245 of query aligns to 2:210/253 of 1gpwC

query
sites
1gpwC

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

C

V

L

D
x
N

M

V

R

K

G

D

G

G

K

R

C

-

V

-

Q

-

L

V

V

V

Q

K

G

G

V

T

P

N

G

F

S

E

E

N

I

L

V

R

S

D

L

S

N

G

D

D

P

P

L

V

A

E

V

L

A

G

L

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D

F

W

Y

I

S

G

E

K

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G

G

A

I

K

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T

E

L

L

H

V

L

F

V

L

D

D

L

I

D

T

G

A

A

S

I

V

E

E

G

K

E

R

R

K

K

T

N

M

A

L

P

E

I

L

I

V

E

E

K

K

I

V

V

A

Q

E

A

Q

C

I

R

-

E

-

K

-

G

D

V

I

S

P

I

F

Q

T

V

V

G

G

G
|
G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G
x
N

T
|
T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D
|
D

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

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T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E
x
D

G
|
G

L

T

M

K

Q

S

G

G

V

Y

N

D

P

T

G

E

P

M

T

I

R

R

E

F

L

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V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

active site: N11 (≠ D10), D130 (= D135)
binding phosphate ion: G82 (= G87), N103 (≠ G108), T104 (= T109), D176 (≠ E177), G177 (= G178)

Sites not aligning to the query:

binding phosphate ion: 225

3zr4E Structural evidence for ammonia tunneling across the (beta-alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex (see paper)
28% identity, 86% coverage: 1:211/245 of query aligns to 2:201/244 of 3zr4E

query
sites
3zr4E

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

C

V

L

D
|
D

M

V

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K

G

D

G

G

K

R

C

-

V

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Q

-

L

-

V

-

Q

-

G

-

V

-

P

-

G

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-

E

-

I

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G

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G

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L

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V

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V

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D

L

I

D

T

G

A

A

S

I

V

E

E

G

K

E

R

R

K

K

T

N

M

A

L

P

E

I

L

I

V

E

E

K

K

I

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V

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Q

E

A

Q

C

I

R

-

E

-

K

-

G

D

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P

I

F

Q

T

V

V

G

G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G

N

T

T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D
|
D

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

T

T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E

D

G

G

L

T

M

K

Q

S

G

G

V

Y

N

D

P

T

G

E

P

M

T

I

R
|
R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

active site: D11 (= D10), D121 (= D135)
binding glycerol: R179 (= R189)

Sites not aligning to the query:

binding glycerol: 206

7qc8A Imidazole glycerol phosphate synthase subunit HisF (see paper)
28% identity, 86% coverage: 1:211/245 of query aligns to 2:210/250 of 7qc8A

query
sites
7qc8A

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

A

V

L

D
x
E

M

V

R

K

G

D

G

G

K

R

C

V

V

V

Q

K

L

-

V

-

Q

-

G

G

V

T

P

N

G

F

S

E

E

N

I

L

V

R

S

D

L

S

N

G

D

D

P

P

L

A

A

E

V

L

A

G

L

K

D

F

W

Y

I

S

G

E

K

I

G

G

A

I

K

D

T

E

L

L

H

V

L

F

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x
H

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D

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x
H

D

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G

A

A

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I

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E

E

G

K

E

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A

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E

E

K

K

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-

E

-

K

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G

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I

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F

F

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T

A

A

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L

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I

E

L

L

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G

G

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A

S

D

R

K

I

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I

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L

I

G

N

T

T

A

A

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E

N

N

P

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S

L

L

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I

K

T

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Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D

D

A

A

K

K

N

R

G

V

K

D

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G

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W

F

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Y

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C

G

A

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K

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M

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G

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R

R

-

D

-

W

-

V

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V

E

E

E

K

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R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E

D

G

G

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G

G

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Y

N

D

P

T

G

E

P

M

T

I

R

R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

binding zinc ion: E11 (≠ D10), H50 (≠ V52), H52 (≠ L54)

2wjzE Crystal structure of (hish) k181a y138a mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity (see paper)
27% identity, 86% coverage: 1:211/245 of query aligns to 2:196/237 of 2wjzE

query
sites
2wjzE

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

C

V

L

D
|
D

M

V

R

K

G

D

G

G

K

R

C

V

V

V

Q

-

L

-

V

-

Q

-

G

-

V

-

P

-

G

-

S

-

E

-

I

-

V

-

S

-

L

-

N

G

D

D

P

P

L

V

A

E

V

L

A

G

L

K

D

F

W

Y

I

S

G

E

K

I

G

G

A

I

K

D

T

E

L

L

H

V

L

F

V

L

D

D

L

I

D

T

G

A

A

-

I

-

E

-

G

-

E

-

R

-

K

K

N

R

A

K

P

T

I

M

I

L

E

E

K

L

I

V

V

E

Q

K

A

V

C

A

R

E

E

Q

K

I

G

D

V

I

S

P

I

F

Q

T

V

V

G

G

G
|
G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G
x
N

T
|
T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D
|
D

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

T

T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E

D

G

G

L

T

M

K

Q

S

G

G

V

Y

N

D

P

T

G

E

P

M

T

I

R

R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S

S

G

G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

active site: D11 (= D10), D116 (= D135)
binding phosphate ion: G68 (= G87), N89 (≠ G108), T90 (= T109)

4ewnD Structure of hisf-d130v+d176v with bound rcdrp (see paper)
27% identity, 86% coverage: 1:211/245 of query aligns to 1:203/243 of 4ewnD

query
sites
4ewnD

M

L

A

A

F

K

E

R

V

I

I

I

P

A

A

C

V

L

D

D

M

V

R

K

G

D

G

G

K

R

C

-

V

-

Q

-

L

V

V

V

Q

K

G

G

V

T

P

N

G

F

S

E

E

N

I

L

V

R

S

D

L

S

N

G

D

D

P

P

L

V

A

E

V

L

A

G

L

K

D

F

W

Y

I

S

G

E

K

I

G

G

A

I

K

D

T

E

L

L

H

V

L

F

V

L

D

D

L

I

D

-

G

-

A

-

I

-

E

-

G

-

E

-

R

-

K

-

N

T

A

K

P

T

I

M

I

L

E

E

K

L

I

V

V

E

Q

K

A

V

C

A

R

E

E

Q

K

I

G

D

V

I

S

P

I

F

Q

T

V

V

G

G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I

S

L

I

G

N

T

T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A

A

L

I

D
x
V

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

T

T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I

M

L

G

L

R

R

-

D

-

W

-

V

E

E

F

V

E

E

E

K

L

R

G

G

A

A

G

G

S

E

L

I

L

L

F

L

T

T

N

S

I

I

D

D

T

R

E

V

G
|
G

L

T

M

K

Q

S

G

G

V

Y

N

D

P

T

G

E

P

M

T

I

R

R

E

F

L

V

V

R

E

P

S

L

V

T

S

T

I

L

P

P

V

I

I

I

A

A

S
|
S

G
|
G

V

A

S

G

S

K

L

M

E

E

D

H

L

F

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: V123 (≠ D135), G170 (= G178), S194 (= S202), G195 (= G203), G196 (= G204)

Sites not aligning to the query:

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: 215, 216, 217, 218

5d2tA Directed evolutionary changes in kemp eliminase ke07 - crystal 3 wild type
26% identity, 93% coverage: 2:229/245 of query aligns to 1:226/251 of 5d2tA

query
sites
5d2tA

A

A

F

K

E

R

V

I

I

I

P

A

A

A

V

L

D

I

M

V

R

K

G

D

G

G

K

R

C

V

V

V

Q

K

L

-

V

-

Q

-

G

-

V

-

P

-

G

G

S

S

E

N

I

F

V

E

S

N

L

L

N

R

D

D

-

S

-

G

-

D

P

P

L

V

A

E

V

L

A

G

L

K

D

F

W

Y

I

S

G

E

K

I

G

G

A

I

K

D

T

E

L

L

H

S

L

F

V
x
W

D

D

L

I

D

T

G

A

A

S

I

V

E

E

G

K

E

R

R

K

K

T

N

M

A

L

P

E

I

L

I

V

E

E

K

K

I

V

V

A

Q

E

A

Q

C

I

R

-

E

-

K

-

G

D

V

I

S

P

I

F

Q

T

V

V

G

G

I

I

R

H

S

D

F

F

E

E

D

T

A

A

A

S

S

E

L

L

L

I

E

L

L

R

G

G

V

A

S

D

R

K

I

V

I
x
E

L

I

G

N

T

T

A

A

L

V

Q

E

N

N

P

P

E

S

L

L

V

I

K

T

Q

Q

L

I

S

A

D

Q

A

T

F

F

G

G

S

S

S

Q

C

A

V

V

N

V

V

V

A
x
Y

L

I

D

A

A

A

K

K

N

R

G

V

K

D

I

G

S

E

I

F

K

M

G

V

W

F

T

T

E

Y

E

S

C

G

A

K

Q

K

T

N

P

T

V

G

E

I