SitesBLAST

Q8U122 Uridylate kinase; UK; Uridine monophosphate kinase; UMP kinase; UMPK; EC 2.7.4.22 from Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (see paper)
43% identity, 100% coverage: 1:223/224 of query aligns to 1:225/225 of Q8U122

query
sites
Q8U122

M

M

R

R

I

I

V

V

I

F

T
x
D

I

I

G

G

S

S

I

V

I

L

I

V

S

P

E

E

F

N

S

P

H

D

-

I

E

D

M

F

F

I

R

K

A

E

Y

I

A

A

D

Y

I

Q

L

L

N

T

S

K

L

V

R

S

D

E

E

D

H

H

D

E

L

V

F

A

V

V

G

G

G
|
G

G

G

R

K

P

L

A

A

R

R

D

K

Y

Y

I

I

G

E

V

V

A

A

R

E

E

K

L

F

G

N

A

S

S

S

E

E

A

T

R

F

C

K

D
|
D

D

F

I

I

G

G

I

I

D

Q

V

I

T

T

R

R

L

A

N

N

A

A

R

M

L

L

I

I

T

A

A

A

L

L

G

R

D

E

S

K

A

A

Y

Y

P

P

G

V

V

V

P

V

E

E

N

D

F

F

R

W

E

E

A

A

L

W

E

K

V

A

A

V

A

Q

T

L

G

K

R

K

I

I

V

P

V

V

M

M

G

G

T
|
T

E
x
H

P
|
P

A
x
G

H
|
H

S
x
T

T
|
T

D
|
D

A

A

V

V

G

A

A

A

I

L

L

L

A

A

E

E

T

F

V

L

E

K

A

A

D

D

L

L

M

L

I

V

N

V

L

I

T

T

S

N

V

V

D

D

G

G

F

V

Y

Y

D

T

R

A

D

D

P

P

A

K

K

K

Y

D

P

P

D

T

A

A

R

K

F

K

Y

I

P

K

E

K

I

M

T

K

A

P

S

E

E

E

M

L

L

L

E

E

H

I

L

V

R

G

G

K

S

G

D

I

V

E

R

K

A

A

G
|
G

T

S

Y

S

E
x
S

F

V

F

I

D

D

H

P

T

L

A

A

L

A

H

K

M

I

I

I

R

A

R

R

S

S

G

G

I

I

R

K

T

T

M

I

I

V

V

I

N

G

G

K

N

E

D

D

P

A

E

K

N

D

L

L

L

F

R

R

A

V

L

I

D

K

G

G

E

D

-

H

I

N

G

G

T

T

V

I

I

E

P

P

D6 (≠ T6) binding Mg(2+)
G44 (= G43) binding UMP
D66 (= D65) binding UMP
114:120 (vs. 113:119, 57% identical) binding UMP
T120 (= T119) binding Mg(2+)
D121 (= D120) binding Mg(2+); binding Mg(2+)
G179 (= G178) binding UMP
S182 (≠ E181) binding Mg(2+)

2ji5A Structure of ump kinase from pyrococcus furiosus complexed with utp
43% identity, 100% coverage: 1:223/224 of query aligns to 3:219/219 of 2ji5A

query
sites
2ji5A

M

M

R

R

I

I

V

V

I

F

T

D

I

I

G

G

S

S

I

V

I

L

I

V

S

P

E

E

F

N

S

P

H

D

-

I

E

D

M

F

F

I

R

K

A

E

Y

I

A

A

D

Y

I

Q

L

L

N

T

S

K

L

V

R

S

D

E

E

D

H

H

D

E

L

V

F

A

V

V

G

G

R

K

P

L

A

A

R

R

D

K

Y

Y

I

I

G

E

V

V

A

A

R

E

E

K

L

F

G

N

A

S

S

S

E

E

A

T

R

F

C

K

D
|
D

D

F

I

I

G
|
G

I
|
I

D

Q

V

I

T

T

R

R

L

A

N

N

A

A

R

M

L

L

I

I

T

A

A

A

L

L

G

R

D

E

S

K

A

A

Y

Y

P

P

G

V

V

V

P

V

E

E

N

D

F

F

R

W

E

E

A

A

L

W

E

K

V

A

A

V

A

Q

T

L

G

K

R

K

I

I

V

P

V

V

M

M

G

G

G
|
G

T
|
T

E
x
H

P

P

A

G

H
|
H

S
x
T

T
|
T

D

D

A

A

V

V

G

A

A

A

I

L

L

L

A

A

E

E

T

F

V

L

E

K

A

A

D

D

L

L

M

L

I

V

N

V

L

I

T

T

S

N

V

V

D

D

G

G

F

V

Y

Y

D

T

R

A

D

D

P

P

A

K

K

K

Y

D

P

P

D

T

A

A

R

K

F

K

Y

I

P

K

E

K

I

M

T

K

A

P

S

E

E

E

M

L

L

L

E

E

H

-

L

I

R

V

G

G

S

K

D

S

V

V

R

-

A

-

G

-

T

-

Y

-

E

-

F

-

F

I

D

D

H

P

T

L

A

A

L

A

H

K

M

I

I

I

R

A

R

R

S

T

G

G

I

I

R

K

T

T

M

I

I

V

V

I

N

G

G

K

N

E

D

D

P

A

E

K

N

D

L

L

L

F

R

R

A

V

L

I

D

K

G

G

E

D

-

H

I

N

G

G

T

T

V

I

I

E

P

P

binding uridine 5'-triphosphate: D68 (= D65), G71 (= G68), I72 (= I69), G115 (= G112), T116 (= T113), H117 (≠ E114), H120 (= H117), T121 (≠ S118), T122 (= T119)

Q97ZE2 Uridylate kinase; UK; Uridine monophosphate kinase; UMP kinase; UMPK; EC 2.7.4.22 from Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) (see paper)
39% identity, 82% coverage: 39:222/224 of query aligns to 40:224/227 of Q97ZE2

query
sites
Q97ZE2

V

I

V

V

V

T

G

G

G
|
G

G

G

R

S

P

T

A

A

R

R

D

R

Y

Y

I

I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G

G

I

I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y

Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T

H

G

G

R

K

I

V

V

V

M

T

G

G

T
x
F

E
x
Q

P
|
P

A
x
G

H
x
Q

S
|
S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T

T

S

N

V

V

D

D

G

G

F

V

Y

Y

D

E

R

K

D

D

P

P

A

R

K

I

Y

Y

P

A

D

D

A

V

R

K

F

L

Y

I

P

P

E

H

I

L

T

T

A

T

S

Q

E

D

M

L

L

R

E

K

H

I

L

L

R

E

G

G

S

S

D

Q

-

S

V

V

R

Q

A

A

G

G

T

T

Y

Y

E

E

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

G44 (= G43) binding UMP
D66 (= D65) binding UMP
114:120 (vs. 113:119, 43% identical) binding UMP

2j4jF Crystal structure of uridylate kinase from sulfolobus solfataricus in complex with ump and amppcp to 2.1 angstrom resolution (see paper)
39% identity, 82% coverage: 39:222/224 of query aligns to 39:223/226 of 2j4jF

query
sites
2j4jF

V

I

V

V

V

T

G
|
G

R

S

P

T

A

A

R
|
R

D

R

Y

Y

I

I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G
|
G

I
|
I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y

Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T

H

G

G

R

K

I

V

V

V

M

T

G

G

G
|
G

T

F

E
x
Q

P

P

A

G

H
x
Q

S
|
S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T
|
T

S
x
N

V
|
V

D

D

G

G

F
x
V

Y
|
Y

D

E

R

K

D
|
D

P
|
P

A
x
R

K

I

Y

Y

P

A

D

D

A

V

R

K

F

L

Y

I

P

P

E

H

I

L

T

T

A

T

S

Q

E

D

M

L

L

R

E

K

H

I

L

L

R

E

G

G

S

S

D

Q

-

S

V

V

R

Q

A
|
A

G
|
G

T
|
T

Y
|
Y

E

E

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

binding p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate: G42 (= G42), G43 (= G43), G44 (= G44), R48 (= R48), D65 (= D65), G68 (= G68), I69 (= I69), G112 (= G112), Q114 (≠ E114), Q117 (≠ H117), S118 (= S118), T119 (= T119), T139 (= T139), N140 (≠ S140), V141 (= V141), V144 (≠ F144), Y145 (= Y145), D148 (= D148), P149 (= P149), R150 (≠ A150), A178 (= A177), G179 (= G178), Y181 (= Y180)
binding magnesium ion: R48 (= R48), T180 (= T179), Y181 (= Y180)

Sites not aligning to the query:

binding p1-(5'-adenosine)p4-(5'-uridine)-beta,gamma-methylene tetraphosphate: 6, 8, 9, 10

2j4jA Crystal structure of uridylate kinase from sulfolobus solfataricus in complex with ump and amppcp to 2.1 angstrom resolution (see paper)
37% identity, 82% coverage: 39:222/224 of query aligns to 39:213/216 of 2j4jA

query
sites
2j4jA

V

I

V

V

V

T

G
|
G

G

G

G
|
G

R

S

P

T

A

A

R
|
R

D

R

Y

Y

I

I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G
|
G

I
|
I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y
|
Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T
x
H

G

G

R

K

I

V

V

V

M

T

G

G

G
|
G

T
x
F

E
x
Q

P

P

A

G

H
x
Q

S
|
S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T
|
T

S
x
N

V
|
V

D

D

G

G

F

V

Y
|
Y

D

E

R

K

D
|
D

P
|
P

A

R

K

I

Y

Y

P

A

D

D

A

V

R

K

F

L

Y

I

P

P

E

-

I

-

T

-

A

-

S

-

E

-

M

-

L

-

E

-

H

H

L

L

R

T

G

T

S

Q

D

D

V

L

R

R

A

K

G

I

T

L

Y

E

E
|
E

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

binding phosphomethylphosphonic acid adenylate ester: G44 (= G44), R48 (= R48), T139 (= T139), N140 (≠ S140), V141 (= V141), Y145 (= Y145), D148 (= D148), P149 (= P149), E172 (= E181)
binding cobalt (ii) ion: Y88 (= Y88), H104 (≠ T104)
binding uridine-5'-monophosphate: G42 (= G42), D65 (= D65), G68 (= G68), I69 (= I69), G112 (= G112), F113 (≠ T113), Q114 (≠ E114), Q117 (≠ H117), S118 (= S118), T119 (= T119)

Sites not aligning to the query:

binding phosphomethylphosphonic acid adenylate ester: 6, 8, 9, 10

2j4lA Crystal structure of uridylate kinase from sulfolobus solfataricus in complex with utp to 2.8 angstrom resolution (see paper)
37% identity, 82% coverage: 39:222/224 of query aligns to 39:211/214 of 2j4lA

query
sites
2j4lA

V

I

V

V

V

T

G
|
G

G

G

R

S

P

T

A

A

R

R

D

R

Y

Y

I

I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G
|
G

I
|
I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y

Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T

H

G

G

R

K

I

V

V

V

M

T

G

G

G
|
G

T

F

E
x
Q

P

P

A

G

H
x
Q

S
|
S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T

T

S

N

V

V

D

D

G

G

F

V

Y

Y

D

E

R

K

D

D

P

P

A

R

K

I

Y

Y

P

A

D

D

A

V

R

K

F

L

Y

I

P

P

E

-

I

-

T

-

A

-

S

-

E

-

M

-

L

-

E

-

H

H

L

L

R

T

G

T

S

Q

D

D

V

L

R

R

A

K

G

-

T

-

Y

I

E

E

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

binding uridine 5'-triphosphate: G42 (= G42), G43 (= G43), D65 (= D65), G68 (= G68), I69 (= I69), G112 (= G112), Q114 (≠ E114), Q117 (≠ H117), S118 (= S118), T119 (= T119)

Sites not aligning to the query:

binding uridine 5'-triphosphate: 8, 9

2j4kC Crystal structure of uridylate kinase from sulfolobus solfataricus in complex with ump to 2.2 angstrom resolution (see paper)
35% identity, 82% coverage: 39:222/224 of query aligns to 39:203/206 of 2j4kC

query
sites
2j4kC

V

I

V

V

V

T

G

G

R

S

P

T

A

A

R

R

D

R

Y

Y

I

I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G
|
G

I
|
I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y

Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T

H

G

G

R

K

I

V

V

V

M

T

G

G

T

F

E
x
Q

P

P

A

G

H
x
Q

S

S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T

T

S

N

V

V

D

D

G

G

F

V

Y

Y

D

E

R

K

D

D

P

P

A

R

K

I

Y

Y

P

-

D

-

A

-

R

-

F

-

Y

-

P

-

E

-

I

-

T

-

A

-

S

-

E

-

M

-

L

I

E

P

H

H

L

L

R

T

G

T

S

Q

D

D

V

L

R

R

A

-

G

-

T

-

Y

-

E

-

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

binding uridine-5'-monophosphate: D65 (= D65), G68 (= G68), I69 (= I69), Q114 (≠ E114), Q117 (≠ H117), T119 (= T119)

2j4lH Crystal structure of uridylate kinase from sulfolobus solfataricus in complex with utp to 2.8 angstrom resolution (see paper)
33% identity, 82% coverage: 39:222/224 of query aligns to 17:168/171 of 2j4lH

query
sites
2j4lH

V

I

V

V

V

T

G
|
G

R

S

P

T

A

A

R

R

D

R

Y

Y

I
|
I

G

K

V

L

A

A

R

R

E

E

L

I

G

G

A

I

S

G

E

E

A

A

R

Y

C

L

D
|
D

D

L

I

L

G

G

I
|
I

D

W

V

A

T

S

R

R

L

L

N

N

A

A

R

Y

L

L

L

V

I

M

T

F

A

S

L

L

G

Q

D

D

S

L

A

A

Y

Y

P

M

G

H

V

V

P

P

E

Q

N

S

F

L

R

E

E

E

A

F

L

I

E

Q

V

D

A

W

A

S

T

H

G

G

R

K

I

V

V

V

M

T

G

G

G
|
G

T

F

E
x
Q

P

P

A

G

H
x
Q

S
|
S

T
|
T

D

A

A

A

V

V

G

A

A

A

I

L

L

V

A

A

E

E

T

A

V

S

E

S

A

S

D

K

L

T

M

L

I

V

N

V

L

A

T

T

S

N

V

V

D

D

G

G

F

-

Y

-

D

-

R

-

D

-

P

-

A

-

K

-

Y

-

P

-

D

-

A

-

R

-

F

-

Y

-

P

-

E

-

I

-

T

-

A

-

S

-

E

-

M

V

L

I

E

P

H

H

L

L

R

-

G

-

S

-

D

-

V

-

R

-

A

-

G

-

T

-

Y

-

E

E

F

L

D

D

H

P

T

L

A

A

L

I

H

K

M

I

I

V

R

E

R

R

S

S

G

K

I

I

R

R

T

V

M

I

I

V

V

M

N

N

G

Y

N

R

D

K

P

L

E

N

N

R

L

I

R

D

A

I

L

L

D

K

G

G

E

E

I

E

G

V

T

S

V

I

I

I

binding uridine 5'-triphosphate: G20 (= G42), G21 (= G43), G22 (= G44), I29 (= I51), D43 (= D65), I47 (= I69), G90 (= G112), Q92 (≠ E114), Q95 (≠ H117), S96 (= S118), T97 (= T119)

Sites not aligning to the query:

binding uridine 5'-triphosphate: 6, 8, 9

P0A7E9 Uridylate kinase; UK; Uridine monophosphate kinase; UMP kinase; UMPK; EC 2.7.4.22 from Escherichia coli (strain K12) (see 4 papers)
30% identity, 83% coverage: 39:224/224 of query aligns to 53:241/241 of P0A7E9

query
sites
P0A7E9

V

V

V

I

G

G

G
|
G

R

N

P

L

A

F

R
|
R

D

G

Y

A

I

-

G

G

V

L

A

A

R

K

E

A

L

-

G

G

A

M

S

N

E

R

A

V

R

V

C

G

D
|
D

D

H

I

M

G

G

I

M

D

L

V

A

T

T

R

V

L

M

N

N

A

G

-

L

-

A

-

M

-
x
R

-
x
D

-
x
A

-
x
L

-
x
H

R

R

L

A

L

Y

I

V

T
x
N

A
|
A

L
x
R

G

L

D

M

S

S

A

A

Y

I

P

P

-

L

-

N

G

G

V

V

P

C

E

D

N

S

F

Y

R

S

-

W

-

A

E

E

A

A

L

I

E

S

V

L

A

L

A

R

T

N

G

N

R

R

I

V

V

V

V

I

M

L

-

S

-

A

G

G

G
x
T

T
x
G

E
x
N

P
|
P

A
x
F

H
x
F

S
x
T

T
|
T

D
|
D

A

S

V

A

G

A

A

C

I

L

L

R

A

G

E

I

T

E

V

I

E

E

A

A

D
|
D

L

V

M

V

I

L

N

K

L

A

T

T

S

K

V

V

D

D

G

G

F

V

Y

F

D

T

R

A

D
|
D

P

P

A

A

K

K

Y

D

P

P

D

T

A

A

R

T

F

M

Y

Y

P

E

E

Q

I

L

T

T

A

Y

S

S

E

E

M

V

L

L

E

E

H

K

L

-

R

-

G

-

S

-

D

-

V

-

R

-

A

-

G

-

T

E

Y

L

E

K

F

V

F

M

D
|
D

H

L

T

A

A

A

L

F

H

T

M

L

I

A

R

R

R

D

S

H

G

K

I

L

R

P

T

I

M

R

I

V

V

F

N

N

G

M

N

N

D

K

P

P

E

G

N

A

L

L

L

R

R

R

A

V

L

V

D

M

G

G

E

E

I

K

G

E

T

G

T

T

V

L

I

I

P

T

E

E

G57 (= G43) binding UMP
G58 (= G44) binding ATP
R62 (= R48) binding ATP; mutation to H: Loss of activation by GTP and decreased affinity for UTP.
D77 (= D65) binding UMP; mutation to N: Loss of activation by GTP and decreased affinity for UTP.
RDALH 92:96 (vs. gap) binding ATP
D93 (vs. gap) mutation to A: Loss of activation by GTP and of inhibition by UTP.
NAR 101:103 (≠ TAL 81:83) binding ATP
T138 (≠ G112) mutation to A: Loss of activation by GTP. Moderate loss of sensitivity to UTP inhibition. 4-fold and 2-fold decrease in affinity for UMP and ATP, respectively.
138:145 (vs. 112:119, 25% identical) binding UMP
N140 (≠ E114) mutation to A: Loss of activation by GTP. Moderate loss of sensitivity to UTP inhibition.
D146 (= D120) mutation to N: Drastically reduced activity.
D159 (= D133) mutation to N: Increased solubility at neutral pH. Nearly no change in kinetic properties and stability.
D174 (= D148) mutation to N: Reduced UMP-binding affinity.
D201 (= D184) mutation to N: Loss of activation by GTP.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
15:18 binding ATP

4a7wA Crystal structure of uridylate kinase from helicobacter pylori (see paper)
29% identity, 78% coverage: 45:218/224 of query aligns to 58:220/226 of 4a7wA

query
sites
4a7wA

R

R

P

T

A

S

R

G

D

D

Y

Y

I

M

G

G

-

M

-

L

-

A

-

T

V

V

A

I

R

N

E

A

L

V

G

A

A

M

S

Q

E

E

A

A

R

-

C

L

D

E

D

H

I

I

G

G

I

L

D

D

V

-

T

T

R
|
R

L

V

N

Q

A

S

R

A

L

I

L

E

I

I

T
x
K

A
x
E

L
x
I

G
x
C

D
x
E

S

S

A

Y

Y

I

P

-

G

-

V

-

P

-

E

-

N

-

F

Y

R

R

E

K

A

A

L

I

E
x
R

V
x
H

A

L

A

E

T
x
K

G

G

R
|
R

I

V

V

V

V

I

M

F

G

G

-

A

G

G

T

T

-

G

E

N

P

P

A

F

H

F

S

T

T

T

D

D

A

T

V

A

G

A

A

T

I

L

L

R

A

A

E

I

T

E

V

I

E

G

A

S

D

D

L

L

M

I

I

I

N

K

L

A

T

T

S

K

V

V

D

D

G

G

F

I

Y

Y

D

D

R

K

D

D

P

P

A

N

K

K

Y

F

P

K

D

D

A

A

R

K

F

-

Y

-

P

-

E

-

I

-

T

-

A

-

S

-

E

-

M

K

L

L

E

D

H

T

L

L

R

S

G

Y

S

N

D

D

V

A

R

L

A

I

G

G

T

D

Y

I

E

E

F

V

F

M

D

D

H

D

T

T

A

A

L

I

H

S

M

L

I

A

R

K

R

D

S

N

G

K

I

L

R

P

T

I

M

V

I

V

V

C

N

N

G

M

N

F

D

K

P

K

E

G

N

N

L

L

R

Q

A

V

L

I

D

K

G

H

E

Q

I

Q

G

G

binding guanosine-5'-triphosphate: R88 (= R73), K96 (≠ T81), E97 (≠ A82), I98 (≠ L83), C99 (≠ G84), E100 (≠ D85), R109 (≠ E100), H110 (≠ V101), K113 (≠ T104), R115 (= R106)

4a7xC Crystal structure of uridylate kinase from helicobacter pylori (see paper)
29% identity, 78% coverage: 45:218/224 of query aligns to 66:228/234 of 4a7xC

query
sites
4a7xC

R

R

P

T

A

S

R

G

D
|
D

Y

Y

I

M

G
|
G

-

M

-

L

-

A

-

T

V

V

A

I

R

N

E

A

L

V

G

A

A

M

S

Q

E

E

A

A

R

-

C

L

D

E

D

H

I

I

G

G

I

L

D

D

V

-

T

T

R

R

L

V

N

Q

A

S

R

A

L

I

L

E

I

I

T

K

A

E

L

I

G

C

D

E

S

S

A

Y

Y

I

P

-

G

-

V

-

P

-

E

-

N

-

F

Y

R

R

E

K

A

A

L

I

E

R

V

H

A

L

A

E

T

K

G

G

R

R

I

V

V

V

V

I

M

F

G

G

-

A

G
|
G

T
|
T

-

G

E
x
N

P

P

A

F

H
x
F

S

T

T
|
T

D

D

A

T

V

A

G

A

A

T

I

L

L

R

A

A

E

I

T

E

V

I

E

G

A

S

D

D

L

L

M

I

I

I

N

K

L

A

T

T

S

K

V

V

D

D

G

G

F

I

Y

Y

D

D

R

K

D

D

P

P

A

N

K

K

Y

F

P

K

D

D

A

A

R

K

F

-

Y

-

P

-

E

-

I

-

T

-

A

-

S

-

E

-

M

K

L

L

E

D

H

T

L

L

R

S

G

Y

S

N

D

D

V

A

R

L

A

I

G

G

T

D

Y

I

E

E

F

V

F

M

D

D

H

D

T

T

A

A

L

I

H

S

M

L

I

A

R

K

R

D

S

N

G

K

I

L

R

P

T

I

M

V

I

V

V

C

N

N

G

M

N

F

D

K

P

K

E

G

N

N

L

L

R

Q

A

V

L

I

D

K

G

H

E

Q

I

Q

G

G

binding uridine-5'-diphosphate: D70 (= D49), G73 (= G52), G130 (= G112), T131 (= T113), N133 (≠ E114), F136 (≠ H117), T138 (= T119)

Sites not aligning to the query:

binding uridine-5'-diphosphate: 7, 9, 49, 50, 54, 55

7z5jB The molybdenum storage protein loaded with tungstate (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 37:264/267 of 7z5jB

query
sites
7z5jB

V

V

I

I

T
x
K

I

I

G

G

S
x
Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G

G

G

A

G
|
G

R

T

P

R

A

A

R
|
R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I
x
S

D

S

V

V

T

A

R
x
D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T

P

A

V

L
x
V

G
|
G

D
x
G

S
x
A

A

G

Y
x
L

P

S

G

A

V
|
V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A

F

T
x
S

G

G

-
x
M

-

P

-
x
P

-

Y

R
x
K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S
x
R

T
|
T

D

D

A

A

V

G

G

C

A

F

I

L

L

L

A

A

E

E

T

Q

V

F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S
x
D

V

E

D

D

G

G

F
x
L

Y
|
Y

D

T

R

A

D
x
N

P

P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A
x
D

G
x
S

T
x
I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding adenosine-5'-triphosphate: K39 (≠ T6), Q43 (≠ S10), S44 (≠ I11), G76 (= G44), R80 (= R48), K186 (≠ T139), D187 (≠ S140), L191 (≠ F144), Y192 (= Y145), N195 (≠ D148), K197 (≠ A150), D220 (≠ A177), S221 (≠ G178), I222 (≠ T179)
binding tungstate cluster: V123 (≠ L83), V131 (= V91)
binding 1,1,3,3,5,7,7,9,11,15,15-undecakis($l^{1}-oxidanyl)-2$l^{4},4$l^{3},6$l^{5},8,10,12,14,16,17,18,19$l^{3},20,21,22,23-pentadecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octatungstapentadecacyclo[7.7.1.1^{1,13}.1^{3,5}.1^{3,15}.1^{5,7}.1^{5,11}.1^{7,11}.0^{2,13}.0^{2,15}.0^{4,13}.0^{6,9}.0^{6,11}.0^{6,13}.0^{9,19}]tricosane: G124 (= G84), G125 (≠ D85), A126 (≠ S86), L128 (≠ Y88), P148 (vs. gap)
binding W11-O35 cluster: S101 (≠ I69), D105 (≠ R73), G124 (= G84), S144 (≠ T104), M146 (vs. gap), K150 (≠ R106)
binding molybdate ion: R80 (= R48), R165 (≠ S118), T166 (= T119)

6rkeB Molybdenum storage protein - p212121, adp, molybdate (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 6rkeB

query
sites
6rkeB

V

V

I

I

T

K

I

I

G
|
G

S
x
Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G
|
G

G
x
A

G
|
G

R

T

P

R

A

A

R
|
R

D

H

Y

L

I
x
Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R

D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T
x
P

A

V

L
x
V

G
|
G

D
x
G

S
x
A

A

G

Y

L

P
x
S

G

A

V
|
V

P
|
P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A
x
F

T

S

G

G

-

M

-

P

-
x
P

-

Y

R

K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S
x
R

T
|
T

D

D

A

A

V

G

G

C

A

F

I

L

L
|
L

A

A

E

E

T

Q

V
x
F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S
x
D

V

E

D

D

G

G

F
x
L

Y
|
Y

D

T

R
x
A

D
x
N

P
|
P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A
x
D

G
x
S

T
x
I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI): G125 (= G84), G126 (≠ D85), A127 (≠ S86), F144 (≠ A103), P149 (vs. gap), L174 (= L126), F178 (≠ V130)
binding adenosine-5'-diphosphate: G42 (= G8), G43 (= G9), Q44 (≠ S10), S45 (≠ I11), K187 (≠ T139), D188 (≠ S140), L192 (≠ F144), Y193 (= Y145), A195 (≠ R147), N196 (≠ D148), P197 (= P149), K198 (≠ A150), D221 (≠ A177), S222 (≠ G178), I223 (≠ T179)
binding MO(8)-O(26) Cluster: P122 (≠ T81), V124 (≠ L83), S130 (≠ P89), V132 (= V91), P133 (= P92)
binding molybdate ion: A76 (≠ G43), G77 (= G44), R81 (= R48), Y84 (≠ I51), R166 (≠ S118), T167 (= T119)
binding phosphate ion: G75 (= G42), A76 (≠ G43), G77 (= G44), R81 (= R48), T167 (= T119)

6rkdB Molybdenum storage protein under turnover conditions (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 6rkdB

query
sites
6rkdB

V

V

I

I

T
x
K

I

I

G

G

S
x
Q

I

S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G

G

G
x
A

G
|
G

R

T

P

R

A

A

R
|
R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I
x
S

D

S

V

V

T

A

R
x
D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T
x
P

A

V

L
x
V

G
|
G

D
x
G

S
x
A

A

G

Y

L

P
x
S

G

A

V
|
V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A
x
F

T
x
S

G

G

-

M

-

P

-
x
P

-

Y

R
x
K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S
x
R

T

T

D

D

A

A

V

G

G

C

A

F

I

L

L
|
L

A

A

E

E

T

Q

V
x
F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S
x
D

V
x
E

D

D

G

G

F
x
L

Y
|
Y

D

T

R
x
A

D
x
N

P
|
P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A
x
D

G

S

T
x
I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI): G125 (= G84), G126 (≠ D85), A127 (≠ S86), F144 (≠ A103), S145 (≠ T104), P149 (vs. gap), K151 (≠ R106), L174 (= L126), F178 (≠ V130)
binding adenosine-5'-triphosphate: K40 (≠ T6), Q44 (≠ S10), A76 (≠ G43), G77 (= G44), K187 (≠ T139), D188 (≠ S140), E189 (≠ V141), L192 (≠ F144), Y193 (= Y145), A195 (≠ R147), N196 (≠ D148), P197 (= P149), K198 (≠ A150), D221 (≠ A177), I223 (≠ T179)
binding oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum: P122 (≠ T81), V124 (≠ L83), S130 (≠ P89), V132 (= V91)
binding molybdate ion: A76 (≠ G43), R81 (= R48), S102 (≠ I69), D106 (≠ R73), S145 (≠ T104), R166 (≠ S118)

6h8hB Molybdenum storage protein - in a recombinant and in vivo-like form (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 6h8hB

query
sites
6h8hB

V

V

I

I

T

K

I

I

G

G

S

Q

I

S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G

G

G

A

G

G

R

T

P

R

A

A

R

R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R
x
D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T

P

A

V

L

V

G
|
G

D
x
G

S
x
A

A

G

Y

L

P
x
S

G

A

V
|
V

P
|
P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A
x
F

T

S

G

G

-

M

-

P

-
x
P

-

Y

R
x
K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S

R

T

T

D

D

A

A

V

G

G

C

A

F

I

L

L
|
L

A

A

E

E

T

Q

V
x
F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T

K

S

D

V

E

D

D

G

G

F

L

Y

Y

D

T

R

A

D

N

P

P

A

K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A

D

G

S

T

I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI): G125 (= G84), G126 (≠ D85), A127 (≠ S86), F144 (≠ A103), P149 (vs. gap), K151 (≠ R106), L174 (= L126), F178 (≠ V130)
binding Mo5 Cluster: D106 (≠ R73), K151 (≠ R106)
binding Mo14O47 cluster: S130 (≠ P89), V132 (= V91), P133 (= P92)

6h8bB Molybdenum storage protein prepared under in vivo-like conditions and incubated with atp and molybdate at 303 k (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 6h8bB

query
sites
6h8bB

V

V

I

I

T
x
K

I

I

G
|
G

S

Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G
|
G

G
x
A

G
|
G

R

T

P

R

A

A

R
|
R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R
x
D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T
x
P

A

V

L
x
V

G
|
G

D
x
G

S
x
A

A
x
G

Y
x
L

P

S

G

A

V
|
V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A

F

T
x
S

G

G

-
x
M

-

P

-
x
P

-

Y

R
x
K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S
x
R

T

T

D

D

A

A

V

G

G

C

A

F

I

L

L

L

A

A

E

E

T

Q

V
x
F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S

D

V

E

D

D

G

G

F

L

Y

Y

D

T

R

A

D

N

P

P

A

K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A

D

G

S

T

I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding Mo5 Cluster: K40 (≠ T6), G42 (= G8), G43 (= G9), S45 (≠ I11), G75 (= G42), A76 (≠ G43), G77 (= G44), R81 (= R48), R166 (≠ S118), K187 (≠ T139)
binding 2,2,4-tris(oxidanyl)-1,3-dioxa-2$l^{4},4$l^{3}-dimolybdacyclobutane: G128 (≠ A87), L129 (≠ Y88), F178 (≠ V130)
binding molybdate cluster: D106 (≠ R73), G125 (= G84), G126 (≠ D85), A127 (≠ S86), G128 (≠ A87), S145 (≠ T104), M147 (vs. gap), P149 (vs. gap), K151 (≠ R106), F178 (≠ V130)
binding oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum: P122 (≠ T81), V124 (≠ L83), V132 (= V91)

6gx4B The molybdenum storage protein: with atp/mn2+ and with pom clusters formed under in vitro conditions (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 6gx4B

query
sites
6gx4B

V

V

I

I

T
x
K

I

I

G
|
G

S
x
Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G

G

G

A

G
|
G

R

T

P

R

A

A

R

R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R

D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T

P

A

V

L

V

G
|
G

D
x
G

S
x
A

A
x
G

Y
x
L

P
x
S

G

A

V

V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A

F

T

S

G

G

-

M

-

P

-
x
P

-

Y

R
x
K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S

R

T

T

D

D

A

A

V

G

G

C

A

F

I

L

L

L

A

A

E

E

T

Q

V

F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S
x
D

V

E

D

D

G

G

F

L

Y
|
Y

D

T

R
x
A

D
x
N

P
|
P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E
x
R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A

D

G
x
S

T
x
I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R
x
E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-
x
H

I

V

G

G

T

T

T

I

V

I

binding adenosine-5'-triphosphate: K40 (≠ T6), G42 (= G8), G43 (= G9), Q44 (≠ S10), S45 (≠ I11), G77 (= G44), K187 (≠ T139), D188 (≠ S140), Y193 (= Y145), A195 (≠ R147), N196 (≠ D148), P197 (= P149), K198 (≠ A150), S222 (≠ G178), I223 (≠ T179)
binding Mo5 Cluster: G125 (= G84), G126 (≠ D85), A127 (≠ S86), A127 (≠ S86), G128 (≠ A87), L129 (≠ Y88), S130 (≠ P89), P149 (vs. gap), K151 (≠ R106)
binding phosphate ion: R208 (≠ E160), E240 (≠ R197), H260 (vs. gap)

4f6tB The crystal structure of the molybdenum storage protein (mosto) from azotobacter vinelandii loaded with various polyoxometalates (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 38:265/268 of 4f6tB

query
sites
4f6tB

V

V

I

I

T
x
K

I

I

G
|
G

S
x
Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G
|
G

G

A

G
|
G

R

T

P

R

A

A

R

R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R

D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T

P

A

V

L

V

G
|
G

D
x
G

S
x
A

A

G

Y

L

P

S

G

A

V

V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A
x
F

T
x
S

G

G

-
x
M

-

P

-
x
P

-

Y

R

K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S

R

T

T

D

D

A

A

V

G

G

C

A

F

I

L

L
|
L

A

A

E

E

T

Q

V
x
F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S
x
D

V

E

D

D

G

G

F

L

Y
|
Y

D

T

R
x
A

D
x
N

P
|
P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A

D

G
x
S

T
x
I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R

R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI): G125 (= G84), G126 (≠ D85), A127 (≠ S86), F144 (≠ A103), P149 (vs. gap), L174 (= L126), F178 (≠ V130)
binding adenosine-5'-triphosphate: K40 (≠ T6), G42 (= G8), G43 (= G9), Q44 (≠ S10), S45 (≠ I11), G75 (= G42), G77 (= G44), K187 (≠ T139), D188 (≠ S140), Y193 (= Y145), A195 (≠ R147), N196 (≠ D148), P197 (= P149), K198 (≠ A150), S222 (≠ G178), I223 (≠ T179)
binding magnesium ion: S145 (≠ T104), M147 (vs. gap)

6rj4B Molybdenum storage protein - p6422, adp (see paper)
29% identity, 97% coverage: 4:221/224 of query aligns to 39:266/269 of 6rj4B

query
sites
6rj4B

V

V

I

I

T
x
K

I

I

G
|
G

S
x
Q

I
x
S

I

V

I

I

S

D

E

R

F

G

S

R

H

A

E

A

M

V

F

Y

R

P

A

L

Y

V

A

D

D

E

I

I

L

V

N

A

S

A

L

-

R

R

D

K

E

N

H

H

D

K

L

L

F

L

V

I

V

G

V

T

G

G

G
x
A

G

G

R

T

P

R

A

A

R

R

D

H

Y

L

I

Y

G

S

V

I

A

A

R

A

E

G

L

L

G

G

A

L

S

P

E

A

A

G

R

V

C

L

D

A

D

Q

I

L

G

G

I

S

D

S

V

V

T

A

R

D

L

Q

N

N

A

A

R

A

L

M

L

L

-

G

-

Q

-

L

-

A

-

K

-

H

-

G

I

I

T

P

A

V

L

V

G

G

D

G

S

A

A

G

Y

L

P

S

G

A

V

V

P

P

E

L

N

S

F

L

R

A

E

E

A

V

L

N

E

A

V

V

A

V

A

F

T

S

G

G

-

M

-

P

-

Y

R

K

I

L

V

W

V

M

M

R

G

P

G

A

T

A

E

E

-

G

-

V

-

I

P

P

A

P

H

Y

S
x
R

T
|
T

D

D

A

A

V

G

G

C

A

F

I

L

L

L

A

A

E

E

T

Q

V

F

E

G

A

C

D

K

L

Q

M

M

I

I

N

F

L

V

T
x
K

S

D

V

E

D

D

G

G

F
x
L

Y
|
Y

D

T

R
x
A

D
x
N

P
|
P

A
x
K

K

T

Y

S

P

K

D

D

A

A

R

T

F

F

Y

I

P

P

E

R

I

I

T

S

A

V

S

D

E

E

M

M

L

-

E

-

H

-

L

-

R

K

G

A

S

K

D

G

V

L

R

H

A

D

G
x
S

T

I

Y

L

E

E

F

F

-

P

-

V

-

L

-

D

F

L

D

L

H

Q

T

S

A

A

L

Q

H

H

M

-

I

V

R
|
R

R

-

S

-

G

-

I

-

R

E

T

V

M

Q

I

V

V

V

N

N

G

G

N

L

D

V

P

P

E

G

N

N

L

L

L

T

R

R

A

A

L

L

D

A

G

G

E

E

-

H

I

V

G

G

T

T

T

I

V

I

binding adenosine-5'-diphosphate: K41 (≠ T6), G43 (= G8), G44 (= G9), Q45 (≠ S10), S46 (≠ I11), K188 (≠ T139), L193 (≠ F144), Y194 (= Y145), A196 (≠ R147), N197 (≠ D148), P198 (= P149), K199 (≠ A150), S223 (≠ G178)
binding phosphate ion: K41 (≠ T6), G43 (= G8), G44 (= G9), S46 (≠ I11), A77 (≠ G43), R167 (≠ S118), T168 (= T119), K188 (≠ T139), R240 (= R192)

Sites not aligning to the query:

binding phosphate ion: 269

Query Sequence

>WP_010876512.1 NCBI__GCF_000008645.1:WP_010876512.1
MRIVITIGGSIIISEFSHEMFRAYADILNSLRDEHDLFVVVGGGRPARDYIGVARELGAS
EARCDDIGIDVTRLNARLLITALGDSAYPGVPENFREALEVAATGRIVVMGGTEPAHSTD
AVGAILAETVEADLMINLTSVDGFYDRDPAKYPDARFYPEITASEMLEHLRGSDVRAGTY
EFFDHTALHMIRRSGIRTMIVNGNDPENLLRALDGEIGTTVIPE

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory