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)
37% identity, 98% coverage: 1:233/238 of query aligns to 4:237/240 of P16250

query
sites
P16250

M

L

E

E

I

L

L

L

P

P

A

A

I

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D
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D

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R

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D

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R

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H

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D

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N

D

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A

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D

N

N

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x
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G

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D

T

T

I

L

K

A

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Y

A

I

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D

A

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T

G

G

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T

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T

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A

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-

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T

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G

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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 (= D127) mutation to A: Very low activity toward PRA. No activity toward ProFAR.; mutation to Q: No activity.
T166 (= T164) mutation to A: No activity.
D171 (= D169) mutation to A: Low activity toward PRA. No activity toward ProFAR.

4tx9A Crystal structure of hisap from streptomyces sviceus with degraded profar (see paper)
36% identity, 99% coverage: 1:235/238 of query aligns to 9:244/246 of 4tx9A

query
sites
4tx9A

M

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active site: D16 (= D8), D135 (= D127)
binding aminoimidazole 4-carboxamide ribonucleotide: G28 (= G20), V57 (= V50), L59 (= L52), S86 (≠ G80), G88 (= G82), R90 (= R84), G109 (= G103), T110 (≠ S104), D135 (= D127), G145 (= G137), W146 (= W138)

3zs4A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound prfar
36% identity, 98% coverage: 3:235/238 of query aligns to 5:242/244 of 3zs4A

query
sites
3zs4A

I

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T

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active site: D10 (= D8), D129 (= D127)
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 (≠ S104), D129 (= D127), G143 (vs. gap), W144 (= W138), D174 (= D169), G175 (= G170), G200 (= G195), G201 (= G196), I223 (= I216), G225 (= G218), K226 (= K219)

5abtA S.Enterica hisa mutant d7n, g102a, v106m, d176a
33% identity, 97% coverage: 3:233/238 of query aligns to 2:240/246 of 5abtA

query
sites
5abtA

I

I

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I

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A

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N

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active site: N7 (≠ D8), D129 (= D130)
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 (= S104), D129 (= D130), G144 (= G137), W145 (= W138), G177 (= G170), S202 (= S194), G203 (= G195), I223 (= I216), G225 (= G218), R226 (≠ K219)

2y88A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase (variant d11n) with bound prfar (see paper)
36% identity, 98% coverage: 3:235/238 of query aligns to 5:242/244 of 2y88A

query
sites
2y88A

I

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x
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Q

-

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D

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G

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G

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M

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D

A

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D

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D

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K

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N

K

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F

L

T

L

L

A

S

G

I

V

A

A

K

D

A

R

S

T

G

D

V

A

P

P

T

V

I

I

A

A

S
|
S

G
|
G

G

G

V

V

K

S

D

S

L

L

Q

D

D

D

I

L

-

R

-

A

I

I

T

A

L

T

L

L

R

T

T

H

R

R

G

G

I

V

A

E

G

G

V

A

I

I

V

V

G
|
G

K
|
K

A

A

F

L

Y

Y

E

A

G

R

T

R

L

F

D

T

L

L

R

P

K

Q

A

A

F

L

E

A

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A

V

V

active site: N10 (≠ D8), D129 (= D127)
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 (≠ S104), D129 (= D127), G143 (vs. gap), W144 (= W138), D174 (= D169), G175 (= G170), S199 (= S194), G200 (= G195), G225 (= G218), K226 (= K219)

2y85A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound rcdrp (see paper)
35% identity, 98% coverage: 3:235/238 of query aligns to 5:233/234 of 2y85A

query
sites
2y85A

I

L

L

L

P

P

A

A

I

V

D
|
D

L

V

K

V

D

E

G

G

K

R

C

A

V

V

R

R

L

T

T

E

K

Y

G

G

L

-

M

-

E

-

S

-

A

-

K

-

I

-

Y

-

S

-

D

-

E

S

P

A

A

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E

D

I

A

A

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D

G

G

A

A

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E

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H

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V

D

D

L
|
L

N

D

G

A

A
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A

F

F

A

-

G

G

E

R

P

G

K

S

N

N

L

H

K

E

Q

L

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A

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E

I

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K

G

N

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N

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I

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E

E

L

L

G
x
S

G

G

I

I

R

R

D

D

E

D

E

E

T

S

I

L

K

A

R

A

Y

A

I

L

D

A

L

T

G

G

I

C

N

A

R

R

V

V

I

N

L

V

G

G

S

T

I

A

A

A

A

L

K

E

N

N

P

P

S

Q

F

W

V

C

K

A

D

R

M

V

A

I

A

G

K

E

Y

H

-

G

-

D

P

Q

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V

A

A

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G

G

I

L

D
|
D

A

V

-

Q

-

I

I

I

D

D

G

G

Y

E

V

H

A

R

V

L

E

R

G

G

-
x
R

-

G

W

W

A

-

E

E

T

T

S

D

T

G

M

G

K

D

A

L

T

W

D

D

L

V

A

L

K

E

E

R

F

L

A

D

K

S

S

E

G

G

V

C

E

S

A

R

I

F

I

V

C

V

T

T

D

D

V

I

S

T

K

K

D
|
D

G
|
G

T

T

L

L

S

G

G

G

V

P

N

N

K

L

D

D

F

L

T

L

L

A

S

G

I

V

A

A

K

D

A

R

S

T

G

D

V

A

P

P

T

V

I

I

A

A

S
|
S

G
|
G

V

V

K

S

D

S

L

L

Q

D

D

D

I

L

-

R

-

A

I

I

T

A

L

T

L

L

R

T

T

H

R

R

G

G

I

V

A

E

G

G

V

A

I

I

V

V

G
|
G

K
|
K

A

A

F

L

Y

Y

E

A

G

R

T

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F

D

T

L

L

R

P

K

Q

A

A

F

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E

A

L

A

V

V

active site: D10 (= D8), D120 (= D127)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: D10 (= D8), H40 (= H48), V42 (= V50), L44 (= L52), A47 (= A55), S71 (≠ G80), R133 (vs. gap), D165 (= D169), G166 (= G170), S190 (= S194), G191 (= G195), G192 (= G196), G216 (= G218), K217 (= K219)

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)
34% identity, 95% coverage: 1:226/238 of query aligns to 1:231/241 of Q9X0C7

query
sites
Q9X0C7

M

M

E

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I

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L

V

P

P

A

A

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D

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V

A

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A

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E

I

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D

L

L

N

S

G

N

A

A

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A

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G

N

E

S

P

G

K

E

N

N

L

L

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P

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V

I

L

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E

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K

I

L

R

S

K

E

N

F

T

A

N

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L

-

K

H

I

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E

Q

L

I

G

G

I

I

R
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R

D

S

E

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D

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Y

I

A

K

E

R

K

Y

L

I

R

D

K

L

L

G

G

I

Y

N

R

R

R

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Q

I

I

L

V

G

S

S

S

I

K

A

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A

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E

N

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P

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S

F

F

V

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K

K

D

S

M

L

A

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A

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-

I

-

D

K

V

Y

E

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P

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V

A

-

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D

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G

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R

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W

W

A

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E

A

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T

V

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S

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L

A

L

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K

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F

L

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Y

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G

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L

E

E

A

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I

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T

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K

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D

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D

S

F

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T

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A

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A

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V

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K

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A

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A

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G

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K

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D

S

L

E

Q

N

D

S

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L

A

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K

-

V

-

H

-

T

-

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A

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G

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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 (= D127) mutation to N: Almost no activity.
T164 (= T164) mutation to A: Strong decrease in activity.

5ab3A S.Enterica hisa mutant d7n, d10g, dup13-15, q24l, g102a (see paper)
31% identity, 97% coverage: 3:233/238 of query aligns to 2:237/241 of 5ab3A

query
sites
5ab3A

I

I

L

I

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P

A

A

I

L

D
x
N

L

L

K

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D

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C

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R
|
R

L

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x
Y

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G

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A

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K

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Q

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N

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G

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x
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S

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A

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A

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-

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K

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G

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G

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N

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F

L

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Y

L

E

S

E

I

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C

A

A

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A

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G

Q

V

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P

A

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F

I

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S

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|
G

V

I

K

G

D

D

L

I

Q

D

D

D

I

I

I

A

T

A

L

-

L

L

R

R

T

G

R

T

G

G

I

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A

R

G

G

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G

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x
R

A

A

F

L

Y

L

E

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G

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K

L

F

D

T

L

V

R

K

K

E

A

A

F

I

E

Q

active site: N7 (≠ D8), D132 (= D130)
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 (= R16), Y24 (≠ M22), V52 (= V50), G84 (= G82), A105 (≠ G103), S106 (= S104), A130 (= A128), D132 (= D130), G174 (= G170), S199 (= S194), G200 (= G195), G201 (= G196), G222 (= G218), R223 (≠ K219)

7ac8A Molecular basis for the unique allosteric activation mechanism of the heterodimeric imidazole glycerol phosphate synthase complex. (see paper)
28% identity, 85% coverage: 3:204/238 of query aligns to 6:211/252 of 7ac8A

query
sites
7ac8A

I

I

L

I

P

A

A

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I

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D
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D

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V

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K

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D

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G

-

L

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L

L

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L

F

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x
L

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x
I

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L

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K

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G

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D

E

F

E

E

T

T

I

A

K

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L

I

I

D

L

L

R

G

G

I

A

N

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V

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x
N

S
x
T

I

A

A

A

A

V

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E

N

N

P

P

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S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

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Y

F

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S

-

Q

P

A

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V

A

V

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G

A

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D

A

A

-

K

-

R

I

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D

D

G

G

Y

E

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A

M

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Y

A
x
S

-

G

-

K

E

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M

I

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A

L

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D

D

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W

A

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G

G

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A

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G

A

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I

I

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C

L

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T

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S

V

I

S

D

K

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D

G
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G

T

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S

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G

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Y

N

D

K

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D

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F

M

T

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S

F

I

V

A

R

K

P

A

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T

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S

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K

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I

L

active site: D11 (= D8), D130 (= D127)
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 (≠ S104), D130 (= D127), S144 (≠ A139), D176 (= D169), G177 (= G170), S201 (= S194)

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, 85% coverage: 3:204/238 of query aligns to 6:211/253 of Q9X0C6

query
sites
Q9X0C6

I

I

L

I

P

A

A
x
C

I

L

D
|
D

L

V

K

K

D

D

G

G

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C

V

V

V

R
x
K

L

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T

T

K

N

G

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x
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A

A

A

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A

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-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D
|
D

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D
|
D

G

G

T

T

L

K

S

S

G

G

V

Y

N
x
D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

S

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

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 (= D127) 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 (= D169) mutation to N: Decrease in activity.
D183 (≠ N176) mutation to N: No change in activity.

3zr4E Structural evidence for ammonia tunneling across the (beta-alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex (see paper)
27% identity, 85% coverage: 3:204/238 of query aligns to 6:202/244 of 3zr4E

query
sites
3zr4E

I

I

L

I

P

A

A

C

I

L

D
|
D

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

-

T

-

K

-

G

-

L

-

M

-

E

-

S

-

A

-

K

-

I

-

Y

-

S

S

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

A

A

S

F

V

A

E

G

K

E

R

P

K

K

T

N

M

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I

S

L

I

G

N

S

T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D
|
D

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D

D

G

G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L
x
R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

S

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

active site: D11 (= D8), D121 (= D127)
binding glycerol: R179 (≠ L181)

Sites not aligning to the query:

binding glycerol: 206

7qc8A Imidazole glycerol phosphate synthase subunit HisF (see paper)
28% identity, 85% coverage: 3:204/238 of query aligns to 6:211/250 of 7qc8A

query
sites
7qc8A

I

I

L

I

P

A

A

A

I

L

D
x
E

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

G

T

T

K

N

G

-

L

-

M

F

E

E

S

N

A

L

K

R

I

-

Y

D

S

S

D

G

E

D

P

P

A

A

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

V

L

F

V
x
H

D

D

L
x
H

N

T

G

A

A

S

F

V

A

E

G

K

E

R

P

K

K

T

N

M

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I

S

L

I

G

N

S

T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D

D

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D

D

G

G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

S

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

binding zinc ion: E11 (≠ D8), H50 (≠ V50), H52 (≠ L52)

1gpwC Structural evidence for ammonia tunneling across the (beta/alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex. (see paper)
27% identity, 85% coverage: 3:204/238 of query aligns to 6:211/253 of 1gpwC

query
sites
1gpwC

I

I

L

I

P

A

A

C

I

L

D
x
N

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

G

T

T

K

N

G

-

L

-

M

F

E

E

S

N

A

L

K

R

I

-

Y

D

S

S

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

A

A

S

F

V

A

E

G

K

E

R

P

K

K

T

N

M

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

G
|
G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I

S

L

I

G
x
N

S
x
T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D
|
D

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D
|
D

G
|
G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

S

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

active site: N11 (≠ D8), D130 (= D127)
binding phosphate ion: G82 (= G82), N103 (≠ G103), T104 (≠ S104), D176 (= D169), G177 (= G170)

Sites not aligning to the query:

binding phosphate ion: 225

1h5yB Hisf protein from pyrobaculum aerophilum (see paper)
27% identity, 82% coverage: 1:196/238 of query aligns to 5:206/253 of 1h5yB

query
sites
1h5yB

M

L

E

R

I

I

L

I

P

P

A

C

I

L

D
|
D

L

I

K

-

D

D

G

G

K

G

C

A

V

K

R

V

L

V

T

V

K
|
K

G

G

L

V

M

N

E

F

S

Q

A

G

K

I

I

R

Y

E

S

V

D

G

E

D

P

P

A

V

E

E

I

M

A

A

K

V

R

R

F

Y

E

E

Q

E

M

E

G

G

A

A

R

D

W

E

L

I

H

A

L

I

V

L

D

D

L

I

N

T

G

A

A

A

F

P

A

E

G

G

E

R

P

A

K

T

N

F

L

I

K

D

Q

S

I

V

E

K

K

R

I

V

R

A

K

E

N

A

T

V

N

S

L

I

K

P

I

V

E

L

L

V

G

G

G
|
G

I

V

R

R

D

S

E

L

E

E

T

D

I

A

K

T

R

T

Y

L

I

F

D

R

L

A

G

G

I

A

N

D

R

K

V

V

I

S

L

V

G
x
N

S
x
T

I

A

A

A

A

V

K

R

N

N

P

P

S

Q

F

L

V

V

K

A

D

L

M

L

A

A

A

R

K

E

Y

F

P

G

V

S

A

Q

V

S

G

T

I

V

D

V

A
|
A

I

I

D
|
D

G

A

-

K

-

W

-

N

-

G

-

E

-

Y

Y

E

V

V

A

Y

V

V

E

K

G
|
G

W

G

A

R

E

E

T

A

S

T

T

G

M

L

K

D

A

A

T

V

D

K

L

W

A

A

K

K

E

E

F

V

A

E

K

E

S

L

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T
|
T

D

S

V

I

S

D

K

R

D
|
D

G
|
G

T

T

L

G

S

L

G

G

V

Y

N

D

K

V

D

E

F

L

T

I

L

R

S

R

I

V

A

A

K

D

A

S

S

V

G

R

V

I

P

P

T

V

I

I

A

A

S

S

G

G

active site: D12 (= D8), D133 (= D130)
binding glycerol: K22 (= K19), N106 (≠ G103), A131 (= A128), D133 (= D130), G147 (= G137), T174 (= T164), D179 (= D169)
binding phosphate ion: G84 (= G81), G85 (= G82), N106 (≠ G103), T107 (≠ S104), D179 (= D169), G180 (= G170)

Sites not aligning to the query:

binding phosphate ion: 226, 227, 228

2wjzE Crystal structure of (hish) k181a y138a mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity (see paper)
27% identity, 85% coverage: 3:204/238 of query aligns to 6:197/237 of 2wjzE

query
sites
2wjzE

I

I

L

I

P

A

A

C

I

L

D
|
D

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

-

L

-

T

-

K

-

G

-

L

-

M

-

E

-

S

-

A

-

K

-

I

-

Y

-

S

-

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

-

A

-

F

-

A

A

G

K

E

R

P

K

K

T

N

M

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

G
|
G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I

S

L

I

G
x
N

S
x
T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D
|
D

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D

D

G

G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

S

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

active site: D11 (= D8), D116 (= D127)
binding phosphate ion: G68 (= G82), N89 (≠ G103), T90 (≠ S104)

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)
21% identity, 95% coverage: 3:228/238 of query aligns to 6:241/258 of P60664

query
sites
P60664

I

I

L

I

P

P

A

C

I

L

D

D

L

V

K

R

D

D

G

G

K

Q

C

V

V

V

R

K

L

G

T

V

K

Q

G

-

L

-

M

F

E

R

S

N

A

H

K

E

I

I

Y

I

S

G

D

D

E

-

P

I

A

V

E

P

I

L

A

A

K

K

R

R

F

Y

E

A

Q

E

M

E

G

G

A

A

R

D

W
x
E

L

L

H

V

L

F

V

Y

D

D

L

I

N

T

G

A

A

S

F

S

A

D

G

G

E

R

P

V

K

V

N

D

L

K

K

S

Q

W

I

V

E

S

K

R

I

V

R

A

K

E

N

V

T

I

N

D

L

I

K

P

I

F

E

C

L

V

G

A

G

G

I

I

R

K

D

S

E

L

E

E

T

D

I

A

K

A

R

K

Y

I

I

L

D

S

L

F

G

G

I

A

N

D

R

K

V

I

I

S

L

I

G

N

S

S

I

P

A

A

A

L

K

A

N

D

P

P

S

T

F

L

V

I

K

T

D

R

M

L

A

A

A

D

K

R

Y

F

P

G

V

V

-
x
Q

-
x
C

-

I

A

V

V

V

G

G

I

I

D

D

A

T

-

W

-

Y

-

D

-

A

-

E

-

T

-

G

-

K

-

Y

-

H

I

V

D

N

G

Q

Y

Y

V

T

A

G

V

D

E

E

G

S

W

R

A

T

E

R

T

V

S

T

T

Q

M

W

K

E

A

T

T

L

D

D

L

W

A

V

K

Q

E

E

F

V

A

Q

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

V

C

L

T

N

D

M

V

M

S

N

K

Q

D

D

G

G

T

V

L

R

S

N

G

G

V

Y

N

D

K

L

D

E

F

Q

T

L

L

K

S

K

I

V

A

R

K

E

A

V

S

C

G

H

V

V

P

P

T

L

I

I

A

A

S

S

G

G

V

A

K

G

D

T

L

M

Q

E

D

H

I

F

I

L

T

E

L

A

L

F

R

R

T

D

R

A

G

D

I

V

A

D

G

G

V

A

I

L

V

A

G

A

K

S

A

V

F

F

Y

H

E

K

G

Q

T

I

L

I

D

N

L

I

E46 (≠ W46) mutation to A: Loss of activity.; mutation to G: Loss of IGP synthase activity. Weak IGP synthase and HisH activities in vitro.
Q123 (vs. gap) 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)
27% identity, 85% coverage: 3:204/238 of query aligns to 5:204/243 of 4ewnD

query
sites
4ewnD

I

I

L

I

P

A

A

C

I

L

D

D

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

G

T

T

K

N

G

-

L

-

M

F

E

E

S

N

A

L

K

R

I

-

Y

D

S

S

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

K

A

T

F

M

A

-

G

-

E

-

P

-

K

-

N

-

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I

S

L

I

G

N

S

T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G

A

I

I

D
x
V

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

L

C

L

T

T

D

S

V

I

S

D

K

R

D

V

G
|
G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S
|
S

G
|
G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: V123 (≠ D127), G170 (= G170), S194 (= S194), G195 (= G195), G196 (= G196)

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
25% identity, 85% coverage: 3:204/238 of query aligns to 4:209/251 of 5d2tA

query
sites
5d2tA

I

I

L

I

P

A

A

A

I

L

D

I

L

V

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

G

T

S

K

N

G

-

L

-

M

F

E

E

S

N

A

L

K

R

I

-

Y

D

S

S

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

S

L

F

V
x
W

D

D

L

I

N

T

G

A

A

S

F

V

A

E

G

K

E

R

P

K

K

T

N

M

L

L

K

E

Q

L

I

V

E

E

K

K

I

V

R

A

K

E

N

Q

T

I

N

D

L

I

K

P

I

F

E

T

L

V

G

G

I

I

R

H

D

D

E

F

E

E

T

T

I

A

K

S

R

E

Y

L

I

I

D

L

L

R

G

G

I

A

N

D

R

K

V

V

I
x
E

L

I

G

N

S

T

I

A

A

A

A

V

K

E

N

N

P

P

S

S

F

L

V

I

K

T

D

Q

M

I

A

A

A

Q

K

T

Y

F

-

G

-

S

-

Q

P

A

V

V

A

V

V

V

G
x
Y

I

I

D

A

A

A

-

K

-

R

I

V

D

D

G

G

Y

E

V

F

A

M

V

V

E

F

G

T

W

Y

A

S

-

G

-

K

E

K

T

N

S

T

T

G

M

I

K

L

A

L

T

R

D

D

L

W

A

V

K

V

E

E

F

V

A

E

K

K

S

R

G

G

V

A

E

G

A

E

I

I

I

V

C

L

T

G

D

S

V

I

S

D

K

R

D

L

G

G

T

T

L

K

S

S

G

G

V

Y

N

D

K

T

D

E

F

M

T

I

L

R

S

F

I

V

A

R

K

P

A

L

S

T

G

T

V

L

P

P

T

I

I

I

A

A

S

H

G

G

V

A

K

G

D

K

L

M

Q

E

D

H

I

F

I

L

binding 5-nitro-2-oxidanyl-benzenecarbonitrile: W48 (≠ V50), E99 (≠ I101), Y126 (≠ G125)

Sites not aligning to the query:

binding 5-nitro-2-oxidanyl-benzenecarbonitrile: 220

6dnjA Directed evolutionary changes in kemp eliminase ke07 - crystal 28 round 5 (see paper)
24% identity, 98% coverage: 6:238/238 of query aligns to 8:243/250 of 6dnjA

query
sites
6dnjA

A

A

I

L

D

I

L

M

K

K

D

D

G

G

K

R

C

V

V

V

R

K

L

G

T

S

K

N

G

-

L

-

M

F

E

E

S

N

A

L

K

R

I

-

Y

D

S

S

D

G

E

D

P

P

A

V

E

E

I

L

A

G

K

K

R

F

F

Y

E

S

Q

E

M

I

G

G

A

I

R

D

W

E

L

L

H

S

L

F

V
x
W

D

D

L

I

N

T

G

A

A

S

F

V

A

E

G

K