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)
41% identity, 97% coverage: 3:240/245 of query aligns to 6:240/240 of P16250

query
sites
P16250

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D11 (= D8) mutation to A: No activity.
R19 (= R16) mutation to A: No effect on activity toward PRA. No activity toward ProFAR.
S81 (≠ G80) mutation to T: No activity toward PRA. Almost no effect on activity toward ProFAR.
D130 (= D129) mutation to A: Very low activity toward PRA. No activity toward ProFAR.; mutation to Q: No activity.
T166 (= T166) mutation to A: No activity.
D171 (= D171) mutation to A: Low activity toward PRA. No activity toward ProFAR.

4tx9A Crystal structure of hisap from streptomyces sviceus with degraded profar (see paper)
42% identity, 96% coverage: 3:237/245 of query aligns to 11:242/246 of 4tx9A

query
sites
4tx9A

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active site: D16 (= D8), D135 (= D129)
binding aminoimidazole 4-carboxamide ribonucleotide: G28 (= G20), V57 (= V50), L59 (= L52), S86 (≠ G80), G88 (= G82), R90 (= R84), G109 (= G103), T110 (= T104), D135 (= D129), G145 (= G139), W146 (= W140)

3zs4A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound prfar
37% identity, 96% coverage: 1:236/245 of query aligns to 3:239/244 of 3zs4A

query
sites
3zs4A

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active site: D10 (= D8), D129 (= D129)
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 (= A6), D10 (= D8), R18 (= R16), A56 (= A55), F57 (= F56), S80 (≠ G80), G82 (= G82), R84 (= R84), G103 (= G103), T104 (= T104), D129 (= D129), G143 (≠ A141), W144 (≠ E142), D174 (= D171), G175 (= G172), G200 (= G197), G201 (= G198), I223 (= I220), G225 (= G222), K226 (= K223)

2y88A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase (variant d11n) with bound prfar (see paper)
37% identity, 96% coverage: 1:236/245 of query aligns to 3:239/244 of 2y88A

query
sites
2y88A

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active site: N10 (≠ D8), D129 (= D129)
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 (= A6), N10 (≠ D8), R18 (= R16), G22 (= G20), L53 (= L52), A56 (= A55), S80 (≠ G80), G81 (= G81), G82 (= G82), R84 (= R84), G103 (= G103), T104 (= T104), D129 (= D129), G143 (≠ A141), W144 (≠ E142), D174 (= D171), G175 (= G172), S199 (= S196), G200 (= G197), G225 (= G222), K226 (= K223)

2y85A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound rcdrp (see paper)
36% identity, 96% coverage: 1:236/245 of query aligns to 3:230/234 of 2y85A

query
sites
2y85A

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N

A

L

I

M

A

A

T

I

L

E

T

A

H

S

R

G

G

V

V

T

E

G

G

A

A

I

I

T

V

G
|
G

K
|
K

A

A

I

L

Y

Y

T

A

G

R

A

R

I

F

N

T

L

L

R

P

E

Q

A

A

I

L

active site: D10 (= D8), D120 (= D129)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: D10 (= D8), H40 (= H48), V42 (= V50), L44 (= L52), A47 (= A55), S71 (≠ G80), R133 (≠ W140), D165 (= D171), G166 (= G172), S190 (= S196), G191 (= G197), G192 (= G198), G216 (= G222), K217 (= K223)

5abtA S.Enterica hisa mutant d7n, g102a, v106m, d176a
31% identity, 96% coverage: 2:236/245 of query aligns to 1:239/246 of 5abtA

query
sites
5abtA

I

M

V

I

I

I

P

P

A

A

I

L

D
x
N

L

L

K

I

E

D

G

G

N

T

C

V

V

V

R

R

L

L

E

H

Q

Q

G
|
G

E

D

M

Y

N

A

R

R

D

Q

T

R

V

D

F

Y

S

G

D

N

N

D

P

P

A

L

E

P

Q

R

A

L

L

Q

K

D

W

Y

Q

A

E

A

A

Q

G

G

A

A

E

G

L

V

L

L

H

H

L

L

V
|
V

D

D

L
|
L

D

T

G

G

A

A

F

K

A

D

G

P

I

A

P

K

K

R

N

Q

K

I

A

P

A

L

I

I

E

K

A

T

I

L

I

V

K

A

A

G

I

V

T

N

I

V

P

P

A

V

Q

Q

L

V

G

G

G
|
G

I

V

R
|
R

D

T

I

E

A

E

T

D

I

V

E

A

A

A

Y

L

L

L

S

K

L

A

G

G

L

V

S

A

R

R

V

V

I
x
V

I

I

G
x
A

T
x
S

A

T

A

A

Q

M

R

K

N

S

P

P

E

D

L

V

V

V

I

K

E

G

A

W

C

F

Q

E

K

R

F

F

P

G

G

A

R

Q

-

A

I

L

V

V

V

L

G

A

I

L

D
|
D

A

V

K

R

-

I

-

D

-

E

-

H

-

G

N

T

G

K

M

Q

V

V

A

A

V

V

Q

S

G
|
G

W
|
W

A

Q

E

E

L

N

T

S

D

G

I

V

S

S

A

L

V

E

D

Q

L

L

A

V

K

E

K

T

F

Y

E

L

D

P

C

V

G

G

V

L

A

K

A

H

I

V

I

L

Y

C

T

T

D

D

I

I

S

S

R

R

D

A

G
|
G

M

T

M

L

G

A

G

G

P

S

N

N

L

V

E

S

A

L

T

Y

R

E

A

E

L

V

-

C

A

A

E

R

A

Y

I

P

S

Q

I

I

P

A

V

F

I

Q

A

S

S
|
S

G
|
G

G

G

V

I

S

G

S

-

L

-

K

-

D

D

I

I

E

D

N

D

L

I

M

A

A

A

I

L

E

R

A

G

S

T

G

G

V

V

T

R

G

G

A

V

I
|
I

T

V

G
|
G

K
x
R

A

A

I

L

Y

L

T

E

G

G

A

K

I

F

N

T

L

V

R

K

E

E

A

A

I

I

active site: N7 (≠ D8), D129 (= D129)
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 (≠ D8), G19 (= G20), V49 (= V50), L51 (= L52), G81 (= G82), R83 (= R84), V100 (≠ I101), A102 (≠ G103), S103 (≠ T104), D129 (= D129), G144 (= G139), W145 (= W140), G177 (= G172), S202 (= S196), G203 (= G197), I223 (= I220), G225 (= G222), R226 (≠ K223)

5ab3A S.Enterica hisa mutant d7n, d10g, dup13-15, q24l, g102a (see paper)
31% identity, 96% coverage: 2:236/245 of query aligns to 1:236/241 of 5ab3A

query
sites
5ab3A

I

M

V

I

I

I

P

P

A

A

I

L

D
x
N

L

L

K

I

E

G

G

G

N

T

C

V

V

V

R

R

-

V

-
x
R

L

L

E

H

Q

Q

G

G

E

D

M
x
Y

N

A

R

R

D

L

T

R

V

D

F

Y

S

G

D

N

N

D

P

P

A

L

E

P

Q

R

A

L

L

Q

K

D

W

Y

Q

A

E

A

A

Q

G

G

A

A

E

G

L

V

L

L

H

H

L

L

V
|
V

D

D

L

L

D

T

G

G

A

A

F

K

A

D

G

P

I

A

P

K

K

R

N

Q

K

I

A

P

A

L

I

I

E

K

A

T

I

L

I

V

K

A

A

G

I

V

T

N

I

V

P

P

A

V

Q

Q

L

V

G

G

G
|
G

I

V

R

R

D

T

I

E

A

E

T

D

I

V

E

A

A

A

Y

L

L

L

S

K

L

A

G

G

L

V

S

A

R

R

V

V

I

V

I

I

G
x
A

T
x
S

A

T

A

A

Q

V

R

K

N

S

P

P

E

D

L

V

V

V

I

K

E

G

A

W

C

F

Q

E

K

R

F

F

P

G

G

A

R

Q

-

A

I

L

V

V

V

L

G
x
A

I

L

D
|
D

A

V

K

R

-

I

-

D

-

E

-

H

-

G

N

T

G

K

M

Q

V

V

A

A

V

V

Q

S

G

G

W

-

A

-

E

-

L

-

T

-

D

-

I

V

S

S

A

L

V

E

D

Q

L

L

A

V

K

E

K

T

F

Y

E

L

D

P

C

V

G

G

V

L

A

K

A

H

I

V

I

L

Y

C

T

T

D

D

I

I

S

S

R

R

D

D

G
|
G

M

T

M

L

G

A

G

G

P

S

N

N

L

V

E

S

A

L

T

Y

R

E

A

E

L

V

-

C

A

A

E

R

A

Y

I

P

S

Q

I

I

P

A

V

F

I

Q

A

S

S
|
S

G
|
G

V

I

S

G

S

-

L

-

K

-

D

D

I

I

E

D

N

D

L

I

M

A

A

A

I

L

E

R

A

G

S

T

G

G

V

V

T

R

G

G

A

V

I

I

T

V

G
|
G

K
x
R

A

A

I

L

Y

L

T

E

G

G

A

K

I

F

N

T

L

V

R

K

E

E

A

A

I

I

active site: N7 (≠ D8), D132 (= D129)
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 (≠ D8), R18 (vs. gap), Y24 (≠ M22), V52 (= V50), G84 (= G82), A105 (≠ G103), S106 (≠ T104), A130 (≠ G127), D132 (= D129), G174 (= G172), S199 (= S196), G200 (= G197), G201 (= G198), G222 (= G222), R223 (≠ K223)

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)
29% identity, 95% coverage: 1:232/245 of query aligns to 1:233/241 of Q9X0C7

query
sites
Q9X0C7

M

M

I

L

V

V

I

V

P

P

A

A

I

I

D
|
D

L

L

K

F

E

R

G

G

N

K

C

V

V

A

R

R

L

M

E

I

Q

K

G

G

E

R

M

K

N

E

R

N

D

T

T

I

V

F

F

Y

S

E

D

K

N

D

P

P

A

V

E

E

Q

L

A

V

L

E

K

K

W

L

Q

I

E

E

A

E

G

G

A

F

E

T

L

L

L

I

H
|
H

L

V

V

V

D
|
D

L

L

D

S

G

N

A

A

F

I

A

E

G

N

I

S

P

G

K

E

N

N

K

L

A

P

A

V

I

L

E

E

A

K

I

L

I

-

K

S

A

E

I

F

T

A

I

E

P

H

A

I

Q

Q

L

I

G

G

I

I

R
|
R

D

S

I

L

A

D

T

Y

I

A

E

E

A

K

Y

L

L

R

S

K

L

L

G

G

L

Y

S

R

R

R

V

Q

I

I

I

V

G

S

T

S

A

K

A

V

Q

L

R

E

N

D

P

P

E

S

L

F

V

-

I

L

E

K

A

S

C

L

Q

R

K

E

F

I

P

D

G

V

R

E

I

P

V

V

V

F

G

S

I

L

D
|
D

A

T

K

R

N

G

G

G

M

R

V

V

A

A

V

F

Q

K

G

G

W

W

A

L

E

A

L

E

T

E

D

E

I

I

S

D

A

P

V

V

D

S

L

L

A

L

K

K

K

R

F

L

E

K

D

E

C

Y

G

G

V

L

A

E

I

I

I

V

Y

H

T
|
T

D

E

I

I

S

E

R

K

D

D

G

G

M

T

M

L

G

Q

G

E

P

H

N

D

L

F

E

S

A

L

T

T

R

K

A

K

L

I

A

A

E

I

A

E

I

A

S

E

I

V

P

K

V

V

I

L

A

A

S

A

G

G

V

I

S

S

L

E

K

N

D

S

I

L

E

K

N

T

L

A

M

Q

A

K

I

V

-

H

-

T

E

E

A

T

S

N

G

G

-

L

V

L

T

K

G

G

A

V

I

I

T

V

G

G

K

R

A

A

I

F

Y

L

T

E

G

G

A

I

I

L

N

T

L

V

D8 (= D8) mutation to N: Loss of activity.
H48 (= H48) mutation to A: Decrease in activity.
D51 (= D51) mutation to N: Decrease in activity.
R83 (= R84) mutation to N: Decrease in activity.
D127 (= D129) mutation to N: Almost no activity.
T164 (= T166) mutation to A: Strong decrease in activity.

1h5yB Hisf protein from pyrobaculum aerophilum (see paper)
36% identity, 71% coverage: 31:205/245 of query aligns to 34:213/253 of 1h5yB

query
sites
1h5yB

N

D

P

P

A

V

E

E

Q

M

A

A

L

V

K

R

W

Y

Q

E

E

E

A

E

G

G

A

A

E

D

L

E

L

I

H

A

L

I

V

L

D

D

L

I

D

T

G

A

A

A

F

P

A

E

G

G

I

R

P

A

K

T

N

F

K

I

A

D

A

S

I

V

E

K

A

R

I

V

I

A

K

E

A

A

I

V

T

S

I

I

P

P

A

V

Q

L

L

V

G

G

G
|
G

I

V

R

R

D

S

I

L

A

E

T

D

I

A

E

T

A

T

Y

L

L

F

S

R

L

A

G

G

L

A

S

D

R

K

V

V

I

S

I

V

G
x
N

T
|
T

A

A

Q

V

R

R

N

N

P

P

E

Q

L

L

V

V

I

A

E

L

A

L

C

A

Q

R

K

E

F

F

P

G

G

S

R

Q

-

S

I

T

V

V

G
x
A

I

I

D
|
D

A

A

K

K

-

W

N

N

G

G

-

E

-

Y

M

E

V

V

A

Y

V

V

Q

K

G
|
G

W

G

A

R

E

E

L

A

T

T

D

G

I

L

S

D

A

A

V

V

D

K

L

W

A

A

K

K

K

E

F

V

E

E

D

E

C

L

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T
|
T

D

S

I

I

S

D

R

R

D
|
D

G
|
G

M

T

M

G

G

L

G

G

P

Y

N

D

L

V

E

E

A

L

T

I

R

R

A

R

L

V

A

A

E

D

A

S

I

V

S

R

I

I

P

P

V

V

I

I

A

A

S

S

G

G

V

A

S

G

S

R

L

V

K

E

D

H

I

F

active site: D133 (= D129)
binding glycerol: N106 (≠ G103), A131 (≠ G127), D133 (= D129), G147 (= G139), T174 (= T166), D179 (= D171)
binding phosphate ion: G84 (= G81), G85 (= G82), N106 (≠ G103), T107 (= T104), D179 (= D171), G180 (= G172)

Sites not aligning to the query:

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)
30% identity, 98% coverage: 3:241/245 of query aligns to 6:243/253 of Q9X0C6

query
sites
Q9X0C6

V

I

I

I

P

A

A
x
C

I

L

D
|
D

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R
x
K

L

G

E

T

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V

L

D
|
D

L

I

D

T

G

-

A

-

F

-

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G
x
N

T

T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D
|
D

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D
|
D

G

G

M

T

M

K

G

S

G

G

P

Y

N
x
D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I

L

T

A

G

A

K

S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

C9 (≠ A6) mutation to A: No change in activity.
D11 (= D8) mutation to X: Loss of activity.
K19 (≠ R16) mutation to S: Decrease in activity.
D51 (= D51) mutation to N: No change in activity.
N103 (≠ G103) mutation to A: No change in activity.
D130 (= D129) 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 (= D171) mutation to N: Decrease in activity.
D183 (≠ N178) mutation to N: No change in activity.

7ac8A Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. (see paper)
30% identity, 98% coverage: 3:241/245 of query aligns to 6:243/252 of 7ac8A

query
sites
7ac8A

V

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

G

E

T

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V
x
L

D

D

L
x
I

D

T

G

-

A

-

F

-

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

G
|
G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G
x
N

T
|
T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D
|
D

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G
x
S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D
|
D

G
|
G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I

L

T

A

G

A

K
x
S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

active site: D11 (= D8), D130 (= D129)
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 (≠ V50), I52 (≠ L52), G82 (= G82), N103 (≠ G103), T104 (= T104), D130 (= D129), S144 (≠ G139), D176 (= D171), G177 (= G172), S201 (= S196), S225 (≠ K223)

7qc8A Imidazole glycerol phosphate synthase subunit HisF (see paper)
31% identity, 98% coverage: 3:241/245 of query aligns to 6:243/250 of 7qc8A

query
sites
7qc8A

V

I

I

I

P

A

A

A

I

L

D
x
E

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

G

E

T

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

A

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V
x
H

D

D

L

-

D

-

G

-

A
x
H

F

T

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G

N

T

T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D

D

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D

D

G

G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I

L

T

A

G

A

K

S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

binding zinc ion: E11 (≠ D8), H50 (≠ V50), H52 (≠ A55)

1gpwC Structural evidence for ammonia tunneling across the (beta/alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex. (see paper)
30% identity, 98% coverage: 3:241/245 of query aligns to 6:243/253 of 1gpwC

query
sites
1gpwC

V

I

I

I

P

A

A

C

I

L

D
x
N

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

G

E

T

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V

L

D

D

L

I

D

T

G

-

A

-

F

-

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

G
|
G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G
x
N

T
|
T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D
|
D

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D
|
D

G
|
G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I

L

T

A

G

A

K
x
S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

active site: N11 (≠ D8), D130 (= D129)
binding phosphate ion: G82 (= G82), N103 (≠ G103), T104 (= T104), D176 (= D171), G177 (= G172), S225 (≠ K223)

3zr4E Structural evidence for ammonia tunneling across the (beta-alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex (see paper)
29% identity, 98% coverage: 3:241/245 of query aligns to 6:234/244 of 3zr4E

query
sites
3zr4E

V

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

-

E

-

Q

-

G

-

E

-

M

-

N

-

R

-

D

-

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V

L

D

D

L

I

D

T

G

-

A

-

F

-

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G

N

T

T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D
|
D

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D

D

G

G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R
|
R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A
x
L

S

A

G

G

V

A

T

D

G

A

A

A

I

L

T

A

G

A

K

S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

active site: D11 (= D8), D121 (= D129)
binding glycerol: R179 (= R183), L206 (≠ A213)

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, 95% coverage: 3:234/245 of query aligns to 6:243/258 of P60664

query
sites
P60664

V

I

I

I

P

P

A

C

I

L

D

D

L

V

K

R

E

D

G

G

N

Q

C

V

V

V

R

K

L

-

E

-

Q

-

G

G

E

V

M

Q

N

F

R

R

D

N

T

H

V

E

F

I

S

I

D

G

N

D

P

I

A

V

E

P

Q

L

A

A

L

K

K

R

W

Y

Q

A

E

E

A

E

G

G

A

A

E

D

L
x
E

L

L

H

V

L

F

V

Y

D

D

L

I

D

T

G

A

A

S

F

S

A

D

G

G

I

R

P

V

K

V

N

D

K

K

A

S

A

W

I

V

E

S

A

R

I

V

I

A

K

E

A

V

I

I

T

D

I

I

P

P

A

F

Q

C

L

V

G

A

G

G

I

I

R

K

D

S

I

L

A

E

T

D

I

A

E

A

A

K

Y

I

L

L

S

S

L

F

G

G

L

A

S

D

R

K

V

I

I

S

I

I

G

N

T

S

A

P

A

A

Q

L

R

A

N

D

P

P

E

T

L

L

V

I

I

T

E

R

A

L

C

A

Q

D

K

R

F

F

P

G

G

V

R
x
Q

-
x
C

I

I

V

V

G

G

I

I

-

D

-

T

-

W

-

Y

D

D

A

A

K

E

N

T

G

G

M

K

V

Y

A

H

V

V

Q

N

G

Q

W

Y

-

T

-

G

-

D

-

E

-

S

-

R

A

T

E

R

L

V

T

T

D

Q

I

W

S

E

A

T

V

L

D

D

L

W

A

V

K

Q

K

E

F

V

E

Q

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

V

Y

L

T

N

D

M

I

M

S

N

R

Q

D

D

G

G

M

V

M

R

G

N

G

G

P

Y

N

D

L

L

E

E

A

Q

T

L

R

K

A

K

L

V

A

R

E

E

A

V

I

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

K

E

D

H

I

F

E

-

N

-

L

L

M

E

A

A

I

F

E

R

A

D

S

A

G

D

V

V

T

D

G

G

A

A

I

L

T

A

G

A

K

S

A

V

I

F

Y

H

T

K

G

Q

A

I

I

I

N

N

L

I

R

G

E

E

E46 (≠ L46) mutation to A: Loss of activity.; mutation to G: Loss of IGP synthase activity. Weak IGP synthase and HisH activities in vitro.
Q123 (≠ R123) mutation to A: Decrease in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.
C124 (vs. gap) mutation to A: No change in activity.; mutation to R: Loss of IGP synthase activity. Weak HisH activity in vitro.

Sites not aligning to the query:

5 R→A: Loss of activity.; R→H: Loss of IGP synthase activity. Weak IGP synthase activity and reduced HisH activity in vitro.

4ewnD Structure of hisf-d130v+d176v with bound rcdrp (see paper)
28% identity, 98% coverage: 3:241/245 of query aligns to 5:236/243 of 4ewnD

query
sites
4ewnD

V

I

I

I

P

A

A

C

I

L

D

D

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

G

E

T

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

V

L

F

V

L

D

D

L

I

D

T

G

K

A

T

F

M

A

L

G

E

I

L

P

-

K

-

N

-

K

-

A

-

I

V

E

E

A

K

I

V

I

A

K

E

A

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I

S

I

I

G

N

T

T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G

A

I

I

D
x
V

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

L

Y

L

T

T

D

S

I

I

S

D

R

R

D

V

G
|
G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

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

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I
x
L

T
x
A

G
x
A

K
x
S

A

V

I

F

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: V123 (≠ D129), G170 (= G172), S194 (= S196), G195 (= G197), G196 (= G198), L215 (≠ I220), A216 (≠ T221), A217 (≠ G222), S218 (≠ K223)

5d2tA Directed evolutionary changes in kemp eliminase ke07 - crystal 3 wild type
29% identity, 98% coverage: 3:241/245 of query aligns to 4:241/251 of 5d2tA

query
sites
5d2tA

V

I

I

I

P

A

A

A

I

L

D

I

L

V

K

K

E

D

G

G

N

R

C

V

V

V

R

K

L

G

E

S

Q

N

G

F

E

E

M

N

N

L

R

R

D

D

T

-

V

-

F

-

S

S

D

G

N

D

P

P

A

V

E

E

Q

L

A

G

L

K

K

F

W

Y

Q

S

E

E

A

I

G

G

A

I

E

D

L

E

L

L

H

S

L

F

V
x
W

D

D

L

I

D

T

G

-

A

-

F

-

A

A

G

S

I

V

P

E

K

K

N

R

K

K

A

T

A

M

I

L

E

E

A

L

I

V

I

E

K

K

A

V

-

A

-

E

-

Q

I

I

T

D

I

I

P

P

A

F

Q

T

L

V

G

G

I

I

R

H

D

D

I

F

A

E

T

T

I

A

E

S

A

E

Y

L

L

I

S

L

L

R

G

G

L

A

S

D

R

K

V

V

I
x
E

I

I

G

N

T

T

A

A

Q

V

R

E

N

N

P

P

E

S

L

L

V

I

I

T

E

Q

A

I

C

A

Q

Q

K

T

F

F

P

G

G

S

R

Q

-

A

I

V

V

V

G
x
Y

I

I

D

A

A

A

K

K

N

R

-

V

-

D

-

G

-

E

G

F

M

M

V

V

A

F

V

T

Q

Y

G

S

W

G

A

K

E

K

L

N

T

T

D

G

I

I

S

L

A

L

V

R

D

D

L

W

A

V

K

V

K

E

F

V

E

E

D

K

C

R

G

G

V

A

A

G

A

E

I

I

I

V

Y

L

T

G

D

S

I

I

S

D

R

R

D

L

G

G

M

T

M

K

G

S

G

G

P

Y

N

D

L

T

E

E

A

M

T

I

R

R

A

F

L

V

A

R

E

P

A

L

I

T

S

T

I

L

P

P

V

I

I

I

A

A

S

H

G

G

V

A

S

G

S

K

L

M

K

-

D

-

I

-

E

E

N

H

L

F

M

L

A

E

I

A

E

F

A

L

S

A

G

G

V

A

T

D

G

A

A

A

I
x
K

T

A

G

N

K

S

A

V

I

L

Y

H

T

F

G

R

A

E

I

I

N

D

L

V

R

R

E

E

A

L

I

K

D

E

L

Y

T

L

K

K

R

K

binding 5-nitro-2-oxidanyl-benzenecarbonitrile: W48 (≠ V50), E99 (≠ I101), Y126 (≠ G127), K220 (≠ I220)

2wjzE Crystal structure of (hish) k181a y138a mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity (see paper)
28% identity, 98% coverage: 3:241/245 of query aligns to 6:229/237 of 2wjzE

query
sites
2wjzE

V

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

E

D

G

G

N

R

C

V

V
</