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)
34% identity, 91% coverage: 3:242/265 of query aligns to 6:232/240 of P16250

query
sites
P16250

L

L

I

L

P

P

A

A

I

V

D
|
D

L

V

K

R

D

D

G

G

H

Q

C

A

V

V

R
|
R

L

L

K

V

Q

H

G

G

D

E

M

S

D

G

Q

T

A

E

T

T

V

S

F

Y

S

G

E

S

D

-

P

P

A

L

E

E

M

A

A

A

L

L

H

A

W

W

L

Q

K

R

Q

S

G

G

A

A

R

E

R

W

L

L

H

H

L

L

V

V

D

D

L

L

N

D

G

A

A

A

F

F

A

-

G

G

K

T

P

G

K

D

N

N

E

R

A

A

A

L

V

I

K

A

A

E

I

V

L

A

K

Q

A

A

V

M

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

D

I

I

P

K

V

V

Q

E

L

L

G
x
S

G

G

I

I

R

R

D

D

L

D

D

D

T

T

I

L

E

A

R

A

Y

A

L

L

D

A

D

T

G

G

L

C

S

T

Y

R

I

V

I

N

I

L

G

G

T

T

A

A

V

L

K

E

N

T

P

P

G

E

F

W

L

V

H

A

D

K

A

V

C

I

S

A

A

E

F

H

P

G

G

D

Q

K

I

I

I

A

V

V

G

G

L

L

D
|
D

A

V

K

R

D

G

G

T

K

T

V

L

A

R

T

G

D

R

G

G

W

W

S

T

K

R

L

-

S

D

G

G

H

G

E

D

V

L

V

Y

D

E

L

T

A

L

Q

D

K

R

F

L

E

N

G

K

Y

E

G

G

C

C

E

A

A

R

I

Y

V

V

Y

V

T
|
T

D

D

I

I

G

A

R

K

D
|
D

G

G

M

T

M

L

G

Q

G

G

V

P

N

N

I

L

E

E

A

L

T

L

V

K

R

N

L

V

A

C

Q

A

A

A

V

T

T

D

I

R

P

P

I

V

A

A

S

S

G

G

V

V

H

S

N

S

V

L

G

D

D

D

V

L

E

R

A

A

L

I

C

A

R

G

V

L

E

V

D

P

E

A

G

G

I

V

E

E

A

G

V

A

I

I

C

V

G

G

R

K

S

A

I

L

Y

Y

E

A

G

K

T

A

L

F

D

T

L

L

D11 (= D8) mutation to A: No activity.
R19 (= R16) mutation to A: No effect on activity toward PRA. No activity toward ProFAR.
S81 (≠ G90) mutation to T: No activity toward PRA. Almost no effect on activity toward ProFAR.
D130 (= D139) mutation to A: Very low activity toward PRA. No activity toward ProFAR.; mutation to Q: No activity.
T166 (= T176) mutation to A: No activity.
D171 (= D181) mutation to A: Low activity toward PRA. No activity toward ProFAR.

4tx9A Crystal structure of hisap from streptomyces sviceus with degraded profar (see paper)
33% identity, 91% coverage: 3:242/265 of query aligns to 11:237/246 of 4tx9A

query
sites
4tx9A

L

L

I

L

P

P

A

A

I

V

D
|
D

L

V

K

R

D

D

G

G

H

Q

C

A

V

V

R

R

L

L

K

V

Q

H

G
|
G

D

E

M

S

D

G

Q

T

A

E

T

T

V

S

F

Y

S

G

E

-

D

S

P

P

A

L

E

E

M

A

A

A

L

L

H

S

W

W

L

Q

K

R

Q

A

G

G

A

A

R

E

R

W

L

L

H

H

L

L

V
|
V

D

D

L
|
L

N

D

G

A

A

A

F

F

A

-

G

G

K

T

P

G

K

D

N

N

E

R

A

E

A

L

V

V

K

R

A

Q

I

V

L

T

K

E

A

A

V

M

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

D

I

I

P

K

V

V

Q

E

L

L

G
x
S

G

G

G
|
G

I

I

R
|
R

D

D

L

D

D

A

T

S

I

L

E

A

R

A

Y

A

L

L

D

A

D

T

G

G

L

C

S

T

Y

R

I

V

I

N

I

L

G
|
G

T
|
T

A

A

V

L

K

E

N

S

P

P

G

E

F

W

L

V

H

A

D

K

A

V

C

I

S

A

A

E

F

H

P

G

G

D

Q

R

I

I

I

A

V

V

G

G

L

L

D
|
D

A

V

K

R

D

G

G

T

K

T

V

L

A

K

T

G

D

R

G
|
G

W
|
W

S

T

K

S

L

-

S

E

G

G

H

G

E

D

V

L

V

Y

D

E

L

A

A

L

Q

E

K

R

F

L

E

D

G

K

Y

E

G

G

C

C

E

A

A

R

I

Y

V

V

Y

V

T

T

D

D

I

I

G

A

R

K

D

D

G

G

M

T

M

L

G

Q

G

G

V

P

N

N

I

L

E

E

A

L

T

L

V

R

R

N

L

V

A

C

Q

A

A

A

V

T

T

D

I

R

P

P

I

V

A

A

S

S

G

G

V

V

H

S

N

S

V

L

G

D

D

D

V

L

E

R

A

A

L

I

C

A

R

E

V

L

E

V

D

P

E

L

G

G

I

V

E

E

A

G

V

S

I

I

C

V

G

G

R

K

S

A

I

L

Y

Y

E

A

G

K

T

A

L

F

D

T

L

L

active site: D16 (= D8), D135 (= D139)
binding aminoimidazole 4-carboxamide ribonucleotide: G28 (= G20), V57 (= V50), L59 (= L52), S86 (≠ G90), G88 (= G92), R90 (= R94), G109 (= G113), T110 (= T114), D135 (= D139), G145 (= G149), W146 (= W150)

3zs4A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound prfar
32% identity, 89% coverage: 1:236/265 of query aligns to 3:229/244 of 3zs4A

query
sites
3zs4A

M

L

L

I

L

L

I

L

P

P

A
|
A

I

V

D
|
D

L

V

K

V

D

E

G

G

H

R

C

A

V

V

R
|
R

L

L

K

V

Q

Q

G

G

D

K

M

A

D

G

Q

S

A

Q

T

T

V

E

F

Y

S

G

E

S

D

-

P

A

A

V

E

D

M

A

A

A

L

L

H

G

W

W

L

Q

K

R

Q

D

G

G

A

A

R

E

R

W

L

I

H

H

L

L

V

V

D

D

L

L

N

D

G

A

A
|
A

F
|
F

A

G

G

R

K

G

P

S

K

N

N

H

E

E

A

L

V

A

K

E

A

V

I

V

L

G

K

K

A

L

V

-

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

D

I

V

P

Q

V

V

Q

E

L

L

G
x
S

G

G

G
|
G

I

I

R
|
R

D

D

L

D

D

E

T

S

I

L

E

A

R

A

Y

A

L

L

D

A

D

T

G

G

L

C

S

A

Y

R

I

V

I

N

I

V

G
|
G

T
|
T

A

A

V

L

K

E

N

N

P

P

G

Q

F

W

L

C

H

A

D

R

A

V

C

I

S

G

A

E

F

H

P

G

G

D

Q

Q

I

V

I

A

V

V

G

G

L

L

D
|
D

A

V

K

Q

-

I

D

D

G

G

-

E

-

H

K

R

V

L

A

R

T

G

D

R

G
|
G

W
|
W

S

-

K

E

L

T

S

D

G

G

H

G

E

D

V

L

V

W

D

D

L

V

A

L

Q

E

K

R

F

L

E

D

G

S

Y

E

G

G

C

C

E

S

A

R

I

F

V

V

Y

V

T

T

D

D

I

I

G

T

R

K

D
|
D

G
|
G

M

T

M

L

G

G

V

P

N

N

I

L

E

D

A

L

T

L

V

A

R

G

L

V

A

A

Q

D

A

R

V

T

T

D

I

A

P

P

I

V

I

I

A

A

S

S

G
|
G

V

V

H

S

N

S

V

L

G

D

D

D

V

L

E

R

A

A

L

I

C

A

R

T

V

L

E

T

D

H

E

R

G

G

I

V

E

E

A

G

V

A

I
|
I

C

V

G
|
G

R
x
K

S

A

I

L

Y

Y

active site: D10 (= D8), D129 (= D139)
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 (≠ G90), G82 (= G92), R84 (= R94), G103 (= G113), T104 (= T114), D129 (= D139), G143 (= G149), W144 (= W150), D174 (= D181), G175 (= G182), G200 (= G207), G201 (= G208), I223 (= I230), G225 (= G232), K226 (≠ R233)

2y88A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase (variant d11n) with bound prfar (see paper)
32% identity, 89% coverage: 1:236/265 of query aligns to 3:229/244 of 2y88A

query
sites
2y88A

M

L

L

I

L

L

I

L

P

P

A
|
A

I

V

D
x
N

L

V

K

V

D

E

G

G

H

R

C

A

V

V

R
|
R

L

L

K

V

Q

Q

G
|
G

D

K

M

A

D

G

Q

S

A

Q

T

T

V

E

F

Y

S

G

E

S

D

-

P

A

A

V

E

D

M

A

A

A

L

L

H

G

W

W

L

Q

K

R

Q

D

G

G

A

A

R

E

R

W

L

I

H

H

L

L

V

V

D

D

L
|
L

N

D

G

A

A
|
A

F

F

A

G

G

R

K

G

P

S

K

N

N

H

E

E

A

L

V

A

K

E

A

V

I

V

L

G

K

K

A

L

V

-

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

D

I

V

P

Q

V

V

Q

E

L

L

G
x
S

G
|
G

I

I

R
|
R

D

D

L

D

D

E

T

S

I

L

E

A

R

A

Y

A

L

L

D

A

D

T

G

G

L

C

S

A

Y

R

I

V

I

N

I

V

G
|
G

T
|
T

A

A

V

L

K

E

N

N

P

P

G

Q

F

W

L

C

H

A

D

R

A

V

C

I

S

G

A

E

F

H

P

G

G

D

Q

Q

I

V

I

A

V

V

G

G

L

L

D
|
D

A

V

K

Q

-

I

D

D

G

G

-

E

-

H

K

R

V

L

A

R

T

G

D

R

G
|
G

W
|
W

S

-

K

E

L

T

S

D

G

G

H

G

E

D

V

L

V

W

D

D

L

V

A

L

Q

E

K

R

F

L

E

D

G

S

Y

E

G

G

C

C

E

S

A

R

I

F

V

V

Y

V

T

T

D

D

I

I

G

T

R

K

D
|
D

G
|
G

M

T

M

L

G

G

V

P

N

N

I

L

E

D

A

L

T

L

V

A

R

G

L

V

A

A

Q

D

A

R

V

T

T

D

I

A

P

P

I

V

I

I

A

A

S
|
S

G
|
G

G

G

V

V

H

S

N

S

V

L

G

D

D

D

V

L

E

R

A

A

L

I

C

A

R

T

V

L

E

T

D

H

E

R

G

G

I

V

E

E

A

G

V

A

I

I

C

V

G
|
G

R
x
K

S

A

I

L

Y

Y

active site: N10 (≠ D8), D129 (= D139)
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 (≠ G90), G81 (= G91), G82 (= G92), R84 (= R94), G103 (= G113), T104 (= T114), D129 (= D139), G143 (= G149), W144 (= W150), D174 (= D181), G175 (= G182), S199 (= S206), G200 (= G207), G225 (= G232), K226 (≠ R233)

2y85A Crystal structure of mycobacterium tuberculosis phosphoribosyl isomerase with bound rcdrp (see paper)
31% identity, 89% coverage: 1:236/265 of query aligns to 3:220/234 of 2y85A

query
sites
2y85A

M

L

L

I

L

L

I

L

P

P

A

A

I

V

D
|
D

L

V

K

V

D

E

G

G

H

R

C

A

V

V

R

R

L

T

K

E

Q

Y

G

G

D

S

M

-

D

-

Q

-

A

-

T

-

V

-

F

-

S

-

E

-

D

-

P

A

A

V

E

D

M

A

A

A

L

L

H

G

W

W

L

Q

K

R

Q

D

G

G

A

A

R

E

R

W

L

I

H
|
H

L

L

V
|
V

D

D

L
|
L

N

D

G

A

A
|
A

F

F

A

G

G

R

K

G

P

S

K

N

N

H

E

E

A

L

V

A

K

E

A

V

I

V

L

G

K

K

A

L

V

-

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

D

I

V

P

Q

V

V

Q

E

L

L

G
x
S

G

G

I

I

R

R

D

D

L

D

D

E

T

S

I

L

E

A

R

A

Y

A

L

L

D

A

D

T

G

G

L

C

S

A

Y

R

I

V

I

N

I

V

G

G

T

T

A

A

V

L

K

E

N

N

P

P

G

Q

F

W

L

C

H

A

D

R

A

V

C

I

S

G

A

E

F

H

P

G

G

D

Q

Q

I

V

I

A

V

V

G

G

L

L

D
|
D

A

V

K

Q

-

I

D

D

G

G

-

E

-

H

K

R

V

L

A

R

T

G

D
x
R

G

G

W

W

S

-

K

E

L

T

S

D

G

G

H

G

E

D

V

L

V

W

D

D

L

V

A

L

Q

E

K

R

F

L

E

D

G

S

Y

E

G

G

C

C

E

S

A

R

I

F

V

V

Y

V

T

T

D

D

I

I

G

T

R

K

D
|
D

G
|
G

M

T

M

L

G

G

V

P

N

N

I

L

E

D

A

L

T

L

V

A

R

G

L

V

A

A

Q

D

A

R

V

T

T

D

I

A

P

P

I

V

I

I

A

A

S
|
S

G
|
G

V

V

H

S

N

S

V

L

G

D

D

D

V

L

E

R

A

A

L

I

C

A

R

T

V

L

E

T

D

H

E

R

G

G

I

V

E

E

A

G

V

A

I

I

C

V

G
|
G

R
x
K

S

A

I

L

Y

Y

active site: D10 (= D8), D120 (= D139)
binding 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate: D10 (= D8), H40 (= H48), V42 (= V50), L44 (= L52), A47 (= A55), S71 (≠ G90), R133 (≠ D148), D165 (= D181), G166 (= G182), S190 (= S206), G191 (= G207), G192 (= G208), G216 (= G232), K217 (≠ R233)

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, 91% coverage: 1:240/265 of query aligns to 1:231/241 of Q9X0C7

query
sites
Q9X0C7

M

M

L

L

L

V

I

V

P

P

A

A

I

I

D
|
D

L

L

K

F

D

R

G

G

H

K

C

V

V

A

R

R

L

M

K

I

Q

K

G

G

D

R

M

K

D

E

Q

N

A

T

T

I

V

F

F

Y

S

E

E

K

D

D

P

P

A

V

E

E

M

L

A

V

L

E

H

K

W

L

L

I

K

E

Q

E

G

G

A

F

R

T

R

L

L

I

H
|
H

L

V

V

V

D
|
D

L

L

N

S

G

N

A

A

F

I

A

E

G

N

K

S

P

G

K

E

N

N

E

-

A

-

V

-

K

L

A

P

I

V

L

L

K

E

A

K

V

L

A

S

S

E

F

F

A

A

E

E

E

H

N

-

E

-

V

-

E

-

I

-

P

-

V

I

Q

Q

L

I

G

G

I

I

R
|
R

D

S

L

L

D

D

T

Y

I

A

E

E

R

K

Y

L

L

R

D

K

D

L

G

G

L

Y

S

R

Y

R

I

Q

I

I

I

V

G

S

T

S

A

K

A

V

V

L

K

E

N

D

P

P

G

S

F

F

L

L

H

-

D

K

A

S

C

L

S

R

A

E

F

I

P

D

G

V

Q

E

I

P

I

V

V

F

G

S

L

L

D
|
D

A

T

K

R

D

G

G

G

K

R

V

V

A

A

T

F

D

K

G

G

W

W

S

L

K

A

L

E

S

E

G

E

H

I

E

D

V

P

V

V

D

S

L

L

A

L

Q

K

K

R

F

L

E

K

G

E

Y

Y

G

G

C

L

E

E

A

E

I

I

V

V

Y

H

T
|
T

D

E

I

I

G

E

R

K

D

D

G

G

M

T

M

L

G

Q

G

E

V

H

N

D

I

F

E

S

A

L

T

T

V

K

R

K

L

I

A

A

Q

I

A

E

V

A

T

E

I

V

P

K

I

V

I

L

A

A

S

A

G

G

V

I

H

S

N

S

V

E

G

N

D

S

V

L

E

K

A

T

L

A

C

Q

R

K

V

V

E

H

D

T

E

E

G

T

-

N

-

G

-

L

I

L

E

K

A

G

V

V

I

I

C

V

G

G

R

R

S

A

I

F

Y

L

E

E

G

G

T

I

L

L

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 (= R94) mutation to N: Decrease in activity.
D127 (= D139) mutation to N: Almost no activity.
T164 (= T176) mutation to A: Strong decrease in activity.

5abtA S.Enterica hisa mutant d7n, g102a, v106m, d176a
30% identity, 91% coverage: 2:243/265 of query aligns to 1:236/246 of 5abtA

query
sites
5abtA

L

M

L

I

I

I

P

P

A

A

I

L

D
x
N

L

L

K

I

D

D

G

G

H

T

C

V

V

V

R

R

L

L

K

H

Q

Q

G
|
G

D

D

M

Y

D

A

Q

R

A

Q

T

R

V

D

F

Y

S

G

E

N

D

D

P

P

A

L

E

P

M

R

A

L

L

Q

H

D

W

Y

L

A

K

A

Q

Q

G

G

A

A

R

G

R

V

L

L

H

H

L

L

V
|
V

D

D

L
|
L

N

T

G

G

A

A

F

K

A

D

G

P

K

A

P

K

K

R

N

Q

E

I

A

P

A

L

V

I

K

K

A

T

I

L

L

V

K

A

A

G

V

V

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

N

I

V

P

P

V

V

Q

Q

L

V

G

G

G
|
G

I

V

R
|
R

D

T

L

E

D

E

T

D

I

V

E

A

R

A

Y

L

L

L

D

K

D

A

G

G

L

V

S

A

Y

R

I

V

I
x
V

I

I

G
x
A

T
x
S

A

T

A

A

V

M

K

K

N

S

P

P

G

D

F

V

L

V

H

K

D

G

A

W

C

F

S

E

A

R

F

F

P

G

G

A

Q

Q

-

A

I

L

I

V

V

L

G

A

L

L

D
|
D

A

V

K

R

-

I

-

D

-

E

-

H

-

G

D

T

G

K

K

Q

V

V

A

A

T

V

D

S

G
|
G

W
|
W

S

Q

K

E

L

N

S

S

G

G

H

V

E

S

V

L

V

E

D

Q

L

L

A

V

Q

E

K

T

F

Y

E

L

G

P

Y

V

G

G

C

L

E

K

A

H

I

V

V

L

Y

C

T

T

D

D

I

I

G

S

R

R

D

A

G
|
G

M

T

M

L

G

A

G

G

V

S

N

N

I

V

-

S

-

L

-

Y

-

E

E

E

A

V

T

C

V

A

R

R

L

Y

A

P

Q

Q

A

-

V

-

T

-

I

I

P

A

I

F

I

Q

A

S

S
|
S

G
|
G

G

G

V

I

H

G

N

D

V

I

G

D

D

D

V

I

E

A

A

A

L

L

C

-

R

-

V

-

E

R

D

G

E

T

G

G

I

V

E

R

A

G

V

V

I
|
I

C

V

G
|
G

R
|
R

S

A

I

L

Y

L

E

E

G

G

T

K

L

F

D

T

L

V

R

K

active site: N7 (≠ D8), D129 (= D139)
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 (= G92), R83 (= R94), V100 (≠ I111), A102 (≠ G113), S103 (≠ T114), D129 (= D139), G144 (= G149), W145 (= W150), G177 (= G182), S202 (= S206), G203 (= G207), I223 (= I230), G225 (= G232), R226 (= R233)

5ab3A S.Enterica hisa mutant d7n, d10g, dup13-15, q24l, g102a (see paper)
30% identity, 91% coverage: 2:243/265 of query aligns to 1:233/241 of 5ab3A

query
sites
5ab3A

L

M

L

I

I

I

P

P

A

A

I

L

D
x
N

L

L

K

I

D

G

G

G

-

T

-

V

H

R

C

V

V

V

R
|
R

L

L

K

H

Q

Q

G

G

D

D

M
x
Y

D

A

Q

R

A

L

T

R

V

D

F

Y

S

G

E

N

D

D

P

P

A

L

E

P

M

R

A

L

L

Q

H

D

W

Y

L

A

K

A

Q

Q

G

G

A

A

R

G

R

V

L

L

H

H

L

L

V
|
V

D

D

L

L

N

T

G

G

A

A

F

K

A

D

G

P

K

A

P

K

K

R

N

Q

E

I

A

P

A

L

V

I

K

K

A

T

I

L

L

V

K

A

A

G

V

V

A

-

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

E

N

I

V

P

P

V

V

Q

Q

L

V

G

G

G
|
G

I

V

R

R

D

T

L

E

D

E

T

D

I

V

E

A

R

A

Y

L

L

L

D

K

D

A

G

G

L

V

S

A

Y

R

I

V

I

I

G
x
A

T
x
S

A

T

A

A

V

V

K

K

N

S

P

P

G

D

F

V

L

V

H

K

D

G

A

W

C

F

S

E

A

R

F

F

P

G

G

A

Q

Q

-

A

I

L

I

V

V

L

G
x
A

L

L

D
|
D

A

V

K

R

D

I

G

D

K

E

V

H

A

G

T

T

D

K

G

Q

W

V

S

A

K

-

L

V

S

S

G

G

H

V

E

S

V

L

V

E

D

Q

L

L

A

V

Q

E

K

T

F

Y

E

L

G

P

Y

V

G

G

C

L

E

K

A

H

I

V

V

L

Y

C

T

T

D

D

I

I

G

S

R

R

D

D

G
|
G

M

T

M

L

G

A

G

G

V

S

N

N

I

V

-

S

-

L

-

Y

-

E

E

E

A

V

T

C

V

A

R

R

L

Y

A

P

Q

Q

A

-

V

-

T

-

I

I

P

A

I

F

I

Q

A

S

S
|
S

G
|
G

V

I

H

G

N

D

V

I

G

D

D

D

V

I

E

A

A

A

L

L

C

-

R

-

V

-

E

R

D

G

E

T

G

G

I

V

E

R

A

G

V

V

I

I

C

V

G
|
G

R
|
R

S

A

I

L

Y

L

E

E

G

G

T

K

L

F

D

T

L

V

R

K

active site: N7 (≠ D8), D132 (= D139)
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 (= G92), A105 (≠ G113), S106 (≠ T114), A130 (≠ G137), D132 (= D139), G174 (= G182), S199 (= S206), G200 (= G207), G201 (= G208), G222 (= G232), R223 (= R233)

1h5yB Hisf protein from pyrobaculum aerophilum (see paper)
32% identity, 80% coverage: 1:212/265 of query aligns to 5:210/253 of 1h5yB

query
sites
1h5yB

M

L

L

R

L

I

I

I

P

P

A

C

I

L

D
|
D

L

I

K

D

D

G

G

G

H

A

C

K

V

V

R

V

L

V

K
|
K

Q

-

G

G

D

V

M

N

D

F

Q

Q

A

G

T

I

V

R

F

E

S

V

E

G

D

D

P

P

A

V

E

E

M

M

A

A

L

V

H

R

W

Y

L

E

K

E

Q

E

G

G

A

A

R

D

R

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

K

R

P

A

K

T

N

F

E

I

A

D

A

S

V

V

K

K

A

R

I

V

L

A

K

E

A

A

V

V

A

S

S

-

F

-

A

-

E

-

N

-

E

-

V

-

E

-

I

I

P

P

V

V

Q

L

L

V

G

G

G
|
G

I

V

R

R

D

S

L

L

D

E

T

D

I

A

E

T

R

T

Y

L

L

F

D

R

D

A

G

G

L

A

S

D

Y

K

I

V

I

S

I

V

G
x
N

T
|
T

A

A

V

V

K

R

N

N

P

P

G

Q

F

L

L

V

H

A

D

L

A

L

C

A

S

R

A

E

F

F

P

G

G

S

Q

Q

-

S

I

T

I

V

V

V

G
x
A

L

I

D
|
D

A

A

K

K

-

W

D

N

G

G

K

E

-

Y

-

E

V

V

A

Y

T

V

D

K

G
|
G

W

G

S

R

K

E

L

A

S

T

G

G

H

L

E

D

V

A

V

V

D

K

L

W

A

A

Q

K

K

E

F

V

E

E

G

E

Y

L

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T
|
T

D

S

I

I

G

D

R

R

D
|
D

G
|
G

M

T

M

G

G

L

G

G

V

Y

N

D

I

V

E

E

A

L

T

I

V

R

R

R

L

V

A

A

Q

D

A

S

V

V

T

R

I

I

P

P

I

V

I

I

A

A

S

S

G

G

V

A

H

G

N

R

V

V

active site: D12 (= D8), D133 (= D139)
binding glycerol: K22 (= K18), N106 (≠ G113), A131 (≠ G137), D133 (= D139), G147 (= G149), T174 (= T176), D179 (= D181)
binding phosphate ion: G84 (= G91), G85 (= G92), N106 (≠ G113), T107 (= T114), D179 (= D181), G180 (= G182)

Sites not aligning to the query:

binding phosphate ion: 226, 227, 228

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)
31% identity, 78% coverage: 3:208/265 of query aligns to 6:203/253 of Q9X0C6

query
sites
Q9X0C6

L

I

I

I

P

A

A
x
C

I

L

D
|
D

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R
x
K

L

-

K

-

Q

-

G

G

D

T

M

N

D

F

Q

E

A

N

T

L

V

R

F

D

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

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

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G
x
N

T

T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
|
D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D
|
D

G

G

M

T

M

K

G

S

G

G

V

Y

N
x
D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

S

G

G

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 (≠ G113) mutation to A: No change in activity.
D130 (= D139) 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 (= D181) mutation to N: Decrease in activity.
D183 (≠ N188) 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)
31% identity, 78% coverage: 3:208/265 of query aligns to 6:203/252 of 7ac8A

query
sites
7ac8A

L

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

T

M

N

D

F

Q

E

A

N

T

L

V

R

F

D

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

E

L

L

H

V

L

F

V
x
L

D

D

L
x
I

N

T

G

A

A

S

F

V

A

E

G

K

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

G
|
G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G
x
N

T
|
T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
|
D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S
|
S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D
|
D

G
|
G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S
|
S

G

G

active site: D11 (= D8), D130 (= D139)
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 (= G92), N103 (≠ G113), T104 (= T114), D130 (= D139), S144 (= S151), D176 (= D181), G177 (= G182), S201 (= S206)

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

3zr4E Structural evidence for ammonia tunneling across the (beta-alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex (see paper)
30% identity, 78% coverage: 3:208/265 of query aligns to 6:194/244 of 3zr4E

query
sites
3zr4E

L

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

-

D

-

M

-

D

-

Q

-

A

-

T

-

V

-

F

-

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

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

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G

N

T

T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
|
D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D

D

G

G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V
x
R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

S

G

G

active site: D11 (= D8), D121 (= D139)
binding glycerol: R179 (≠ V193)

Sites not aligning to the query:

binding glycerol: 206

1gpwC Structural evidence for ammonia tunneling across the (beta/alpha)8 barrel of the imidazole glycerol phosphate synthase bienzyme complex. (see paper)
31% identity, 74% coverage: 14:208/265 of query aligns to 9:203/253 of 1gpwC

query
sites
1gpwC

C

C

V

L

R
x
N

L

V

K

K

Q

D

G

G

D

R

M

V

D

V

Q

K

A

G

T

T

V

N

F

F

-

E

-

N

-

L

-

R

-

D

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

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

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

G
|
G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G
x
N

T
|
T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
|
D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D
|
D

G
|
G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

S

G

G

active site: N11 (≠ R16), D130 (= D139)
binding phosphate ion: G82 (= G92), N103 (≠ G113), T104 (= T114), D176 (= D181), G177 (= G182)

Sites not aligning to the query:

binding phosphate ion: 225

7qc8A Imidazole glycerol phosphate synthase subunit HisF (see paper)
31% identity, 78% coverage: 3:208/265 of query aligns to 6:203/250 of 7qc8A

query
sites
7qc8A

L

I

I

I

P

A

A

A

I

L

D
x
E

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

T

M

N

D

F

Q

E

A

N

T

L

V

R

F

D

S

S

E

G

D

D

P

P

A

A

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

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

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G

N

T

T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D

D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D

D

G

G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

S

G

G

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

2wjzE Crystal structure of (hish) k181a y138a mutant of imidazoleglycerolphosphate synthase (hish hisf) which displays constitutive glutaminase activity (see paper)
30% identity, 78% coverage: 3:208/265 of query aligns to 6:189/237 of 2wjzE

query
sites
2wjzE

L

I

I

I

P

A

A

C

I

L

D
|
D

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

-

L

-

K

-

Q

-

G

-

D

-

M

-

D

-

Q

-

A

-

T

-

V

-

F

-

S

-

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

-

A

-

F

-

A

-

G

-

K

-

P

-

K

-

N

-

E

-

A

A

A

K

V

R

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

G
|
G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G
x
N

T
|
T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
|
D

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D

D

G

G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

S

G

G

active site: D11 (= D8), D116 (= D139)
binding phosphate ion: G68 (= G92), N89 (≠ G113), T90 (= T114)

4ewnD Structure of hisf-d130v+d176v with bound rcdrp (see paper)
30% identity, 78% coverage: 3:208/265 of query aligns to 5:196/243 of 4ewnD

query
sites
4ewnD

L

I

I

I

P

A

A

C

I

L

D

D

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

T

M

N

D

F

Q

E

A

N

T

L

V

R

F

D

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

E

L

L

H

V

L

F

V

L

D

D

L

I

N

T

G

-

A

-

F

-

A

-

G

-

K

-

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I

S

I

I

G

N

T

T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G

A

L

I

D
x
V

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

L

Y

L

T

T

D

S

I

I

G

D

R

R

D

V

G
|
G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S
|
S

G
|
G

binding 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate: V123 (≠ D139), G170 (= G182), S194 (= S206), G195 (= G207), G196 (= G208)

Sites not aligning to the query:

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

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)
25% identity, 78% coverage: 3:208/265 of query aligns to 6:209/258 of P60664

query
sites
P60664

L

I

I

I

P

P

A

C

I

L

D

D

L

V

K

R

D

D

G

G

H

Q

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

V

M

Q

D

F

Q

R

A

N

T

H

V

E

F

I

S

I

E

G

D

D

P

I

A

V

E

P

M

L

A

A

L

K

H

R

W

Y

L

A

K

E

Q

E

G

G

A

A

R

D

R
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

K

R

P

V

K

V

N

D

E

K

A

S

A

W

V

V

K

S

A

R

I

V

L

-

K

-

A

-

V

-

A

-

S

-

F

-

A

-

E

-

N

A

E

E

V

V

E

I

E

D

I

I

P

P

V

F

Q

C

L

V

G

A

G

G

I

I

R

K

D

S

L

L

D

E

T

D

I

A

E

A

R

K

Y

I

L

L

D

S

D

F

G

G

L

A

S

D

Y

K

I

I

I

S

I

I

G

N

T

S

A

P

A

A

V

L

K

A

N

D

P

P

G

T

F

L

L

I

H

T

D

R

A

L

C

A

S

D

A

R

F

F

P

G

G

V

Q
|
Q

-
x
C

I

I

I

V

V

V

G

G

L

I

D

D

-

T

-

W

-

Y

-

D

A

A

K

E

D

T

G

G

K

K

V

Y

A

H

T

V

D

N

G

Q

W

Y

S

T

-

G

-

D

-

E

-

S

-

R

-

T

K

R

L

V

S

T

G

Q

H

W

E

E

V

T

V

L

D

D

L

W

A

V

Q

Q

K

E

F

V

E

Q

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

V

Y

L

T

N

D

M

I

M

G

N

R

Q

D

D

G

G

M

V

M

R

G

N

G

G

V

Y

N

D

I

L

E

E

A

Q

T

L

V

K

R

K

L

V

A

R

Q

E

A

V

V

C

T

H

I

V

P

P

I

L

I

I

A

A

S

S

G

G

E46 (≠ R46) mutation to A: Loss of activity.; mutation to G: Loss of IGP synthase activity. Weak IGP synthase and HisH activities in vitro.
Q123 (= Q133) 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.

5d2tA Directed evolutionary changes in kemp eliminase ke07 - crystal 3 wild type
28% identity, 91% coverage: 3:243/265 of query aligns to 4:233/251 of 5d2tA

query
sites
5d2tA

L

I

I

I

P

A

A

A

I

L

D

I

L

V

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

S

M

N

D

F

Q

E

A

N

T

L

V

R

F

D

S

S

E

G

D

D

P

P

A

V

E

E

M

L

A

G

L

K

H

F

W

Y

L

S

K

E

Q

I

G

G

A

I

R

D

R

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

K

R

P

-

K

-

N

-

E

-

A

-

V

-

K

K

A

T

I

M

L

L

K

E

A

L

V

V

A

E

S

K

F

V

A

A

E

E

E

Q

N

I

E

D

V

-

E

-

I

I

P

P

V

F

Q

T

L

V

G

G

I

I

R

H

D

D

L

F

D

E

T

T

I

A

E

S

R

E

Y

L

L

I

D

L

D

R

G

G

L

A

S

D

Y

K

I

V

I
x
E

I

I

G

N

T

T

A

A

V

V

K

E

N

N

P

P

G

S

F

L

L

I

H

T

D

Q

A

I

C

A

S

Q

A

T

F

F

P

G

G

S

Q

Q

-

A

I

V

V

V

G
x
Y

L

I

D

A

A

A

K

K

-

R

-

V

D

D

G

G

K

E

V

F

A

M

T

V

D

F

G

T

W

Y

S

S

-

G

-

K

K

K

L

N

S

T

G

G

H

I

E

L

V

L

V

R

D

D

L

W

A

V

Q

V

K

E

F

V

E

E

G

K

Y

R

G

G

C

A

E

G

A

E

I

I

V

V

Y

L

T

G

D

S

I

I

G

D

R

R

D

L

G

G

M

T

M

K

G

S

G

G

V

Y

N

D

I

T

E

E

A

M

T

I

V

R

R

F

L

V

A

R

Q

P

A

L

V

T

T

T

I

L

P

P

I

I

A

A

S

H

G

G

V

-

H

-

N

-

V

A

G

G

D

K

V

M

E

E

A

H

L

F

C

L

R

E

V

A

E

F

D

L

E

A

G

G

I

A

E

D

A

A

V

A

I
x
K

C

A

G

N

R

S

S

V

I

L

Y

H

E

F

G

R

T

E

L

I

D

D

L

V

R

R

binding 5-nitro-2-oxidanyl-benzenecarbonitrile: W48 (≠ V50), E99 (≠ I111), Y126 (≠ G137), K220 (≠ I230)

3iivB Evolutionary optimization of computationally designed enzymes: kemp eliminases of the ke07 series (see paper)
30% identity, 77% coverage: 6:208/265 of query aligns to 9:202/262 of 3iivB

query
sites
3iivB

A

A

I

L

D

I

L

L

K

K

D

D

G

G

H

R

C

V

V

V

R

K

L

-

K

-

Q

-

G

G

D

S

M

N

D

F

Q

E

A

N

T

L

V

R