SitesBLAST

C169 (= C189) binding
C172 (= C192) binding
W174 (≠ F194) mutation to A: No adenylation of ThiS.
C184 (= C204) mutation to S: No cross-link formed with ThiS. No effect on ThiS thiocarboxylate formation in vitro. Does not support growth.
C240 (= C276) binding
C243 (= C279) binding

1zfnA Structural analysis of escherichia coli thif (see paper)
44% identity, 90% coverage: 11:280/300 of query aligns to 1:244/244 of 1zfnA

query
sites
1zfnA

L

M

N

N

D

D

K

R

D

D

F

F

I

M

R

R

Y

Y

S

S

R
|
R

Q

Q

I

I

F

L

L

L

P

D

E

D

V

I

G

A

E

L

A

D

G

G

L

Q

Q

K

L

L

K

L

Q

D

C

S

H

Q

V

V

V

L

I

I

I
|
I

G
|
G

C

L

G
|
G

L

L

G

G

Q

T

L

P

A

A

Q

L

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

T

I

L

T

V

L

L

V

A

D
|
D

D

D

R

D

V

V

E

H

L

L

S

S

N

N

L

L

P

Q

R
|
R

Q
|
Q

L

I

L

L

F

F

N

T

E

T

A

E

D

D

I

I

G

D

Q

R

Y

P

K
|
K

A

S

W

Q

V

V

A

S

K

Q

Q

Q

K

R

L

L

A

T

V

Q

L

L

A

N

P

P

D

D

C

I

Q

Q

L

L

F

T

A

A

F

L

V

Q

Q

Q

M

R

L

L

T

T

L

-

D

-

S

-

A

G

E

E

S

A

L

L

L

K

A

D

H

A

V

V

A

A

T

R

A

A

N

D

R

-

Q

-

S

-

A

-

L

V

L

L

D

D

C

C

T
|
T

D
|
D

N

N

L

M

A

A

A
x
T

R

R

H

Q

C

E

I

I

N

N

Q

A

L

A

C

C

I

V

E

A

H

L

A

N

L

T

P

P

L

L

V

I

S

T

A

A

S

S

I

A

A

V

A

G

F

F

N

G

G

G

Q

Q

L

L

F

M

A

V

V

L

D

-

Q

-

R

-

F

T

P

P

-

P

-

W

A

E

G

Q

G

G

C
|
C

Y

Y

H

R

C
|
C

V

L

F

W

P

P

A

D

D

N

T

Q

Y

E

A

P

P

E

Q

R

N

N

C

C

S

R

N

T

Q

A

G

G

V

V

L

V

G

G

P

P

S

V

V

V

G

G

V

V

M

M

A

G

S

T

M

L

Q

Q

A

A

L

L

L

E

A

A

I

I

Q

K

L

L

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

-

V

S

G

G

A

I

E

E

H

T

L

P

L

A

G

G

R

E

F

L

W

R

R

L

F

F

D

D

A

G

K

K

S

S

L

S

Q

Q

W

W

H

R

S

S

A

L

R

A

L

L

T

R

R

R

D

A

P

S

E

G

C
|
C

E

P

V

V

C
|
C

A

G

active site: R11 (= R21), D127 (= D145)
binding adenosine-5'-triphosphate: I34 (= I44), G35 (= G45), G37 (= G47), G38 (= G48), D59 (= D69), R70 (= R80), Q71 (= Q81), K83 (= K93), T126 (= T144), D127 (= D145), T131 (≠ A149)
binding zinc ion: C169 (= C189), C172 (= C192), C240 (= C276), C243 (= C279)

1zud3 Structure of this-thif protein complex (see paper)
43% identity, 90% coverage: 11:280/300 of query aligns to 1:239/240 of 1zud3

query
sites
1zud3

L

M

N

N

D

D

K

R

D

D

F

F

I

M

R

R

Y

Y

S

S

R
|
R

Q

Q

I

I

F
x
L

L

L

P
x
D

E

D

V

I

G

A

E

L

A

D

G

G

L

Q

Q

K

L

L

K

L

Q

D

C

S

H

Q

V

V

V

L

I

I

G

G

C

L

G

G

L

L

G

G

Q

T

L

P

A

A

Q

L

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

T

I

L

T

V

L

L

V

A

D

D

R

D

V

V

E

H

L

L

S

S

N

N

L

L

P

Q

R

R

Q

Q

L

I

L

L

F

F

N

T

E

T

A

E

D

D

I

I

G

D

Q

R

Y

P

K

K

A

S

W

Q

V

V

A

S

K

Q

Q

Q

K

R

L

L

A

T

V

Q

L

L

A

N

P

P

D

D

C

I

Q

Q

L

L

F

T

A

A

F

L

V

Q

Q

Q

M

R

L

L

T

T

L

-

D

-

S

-

A

G

E

E

S

A

L

L

L

K

A

D

H

A

V

V

A

A

T

R

A

A

N

D

R

-

Q

-

S

-

A

-

L

V

L

L

D

D

C

C

T

T

D
|
D

N

N

L

M

A

A

A

T

R

R

H

Q

C

E

I

I

N

N

Q

A

L

A

C

C

I

V

E

A

H

L

A

N

L

T

P

P

L

L

V

I

S

T

A

A

S

S

I

A

A

V

A

G

F

F

N

G

G

G

Q

Q

L

L

F

M

A

V

V

L

D

T

Q

P

R

W

F

-

P

-

A

E

G

Q

G

G

C
|
C

Y

Y

H

R

C

C

V

L

F

W

P

P

A

-

D

D

T

N

Y

Q

A

E

P

P

Q

T

N

A

C

G

S

V

N

V

Q

G

G

-

V

-

L

-

G

-

P

P

S

V

V

V

G

G

V

V

M

M

A

G

S

T

M

L

Q

Q

A

A

L

L

L

E

A

A

I

I

Q

K

L

L

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

-

V

S

G

G

A

I

E

E

H

T

L

P

L

A

G

G

R

E

F

L

W

R

R

L

F

F

D

D

A

G

K

K

S

S

L

S

Q

Q

W

W

H

R

S

S

A

L

R

A

L

L

T

R

R

R

D

A

P

S

E

G

C
|
C

E

P

V

V

C
|
C

A

G

active site: R11 (= R21), D127 (= D145)
binding calcium ion: L14 (≠ F24), D16 (≠ P26)
binding zinc ion: C169 (= C189), C235 (= C276), C238 (= C279)

Q9VLJ8 Adenylyltransferase and sulfurtransferase MOCS3; Molybdenum cofactor synthesis protein 3; Ubiquitin activating enzyme 4; EC 2.7.7.80; EC 2.8.1.11 from Drosophila melanogaster (Fruit fly) (see paper)
36% identity, 91% coverage: 9:280/300 of query aligns to 62:310/453 of Q9VLJ8

query
sites
Q9VLJ8

S
x
T

S

K

L

L

N

T

D

N

K

D

D

D

F

I

I

A

R

R

Y

Y

S

S

R

R

Q

Q

I

L

F

I

L

L

P

P

E

D

V

F

G

G

E

V

A

Q

G

G

L

Q

L

L

Q

K

L

L

K

K

Q

N

C

S

H

S

V

V

V

L

I

I

I

V

G

G

C

L

G

G

L

L

G

G

Q

C

L

P

A

A

Q

Q

Y

Y

L

L

A

A

C

A

A

A

G

G

I

C

G

G

S

H

I

L

T

G

L

L

V

V

D

D

D

Y

D

D

R

E

V

V

E

E

L

R

S

S

N

N

L

F

P

H

R

R

Q

Q

L

I

L

L

F

H

N

S

E

E

A

D

D

R

I

C

G

G

Q

M

Y

S

K

K

A

A

W

E

V

S

A

A

K

R

Q

I

K

A

L

L

A

L

V

E

L

L

A

N

P

P

D

H

C

C

Q

E

L

I

F

Q

A

C

F

H

V

S

Q

R

M

M

L

L

T

Y

L

P

D

H

S

N

A

A

E

M

S

H

L

I

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

G

S

Y

A

D

L

V

L

L

D

D

C

C

T

T

D

D

N

N

L

V

A

P

A

T

R

R

H

Y

C

L

I

L

N

S

Q

D

L

A

C

C

I

V

E

M

H

L

A

S

L

K

P

P

L

L

V

V

S

S

A

G

S

S

I

A

A

L

A

K

F

M

N

D

G

G

Q

Q

L

L

F

T

A

V

V

Y

D

N

Q

-

R

-

F

Y

P

A

A

N

G

G

G

P

C

C

Y

Y

H

R

C

C

V

I

F

F

P

P

A

V

-

P

D

P

T

P

Y

E

A

A

P

V

Q

T

N

N

C

C

S

G

N

D

Q

G

G

G

V

V

L

L

G

G

P

A

S

V

V

T

G

G

V

T

M

I

A

G

S

A

M

M

Q

Q

A

A

L

L

L

E

A

A

I

I

Q

K

L

V

L

I

L

V

T

G

A

M

T

-

V

-

P

-

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

-

V

-

G

-

A

G

E

D

H

V

L

L

L

A

G

G

R

R

F

L

W

L

R

I

F

F

D

D

A

G

K

G

S

S

L

G

Q

V

W

F

H

R

S

N

A

I

R

R

L

I

-

R

T

S

R

K

D

R

P

P

E

N

C

C

E

H

V

M

C

C

A

S

T62 (≠ S9) modified: Phosphothreonine

O59954 Adenylyltransferase and sulfurtransferase uba4; Common component for nitrate reductase and xanthine dehydrogenase protein F; Ubiquitin-like protein activator 4; EC 2.7.7.80; EC 2.8.1.11 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see paper)
35% identity, 99% coverage: 2:299/300 of query aligns to 49:334/482 of O59954

query
sites
O59954

S

A

A

T

T

T

A

G

Q

Q

K

R

S

T

S

K

S

S

-

K

-

W

-

P

L

L

N

H

D

G

K

E

D

E

F

Y

I

R

R

R

Y

Y

S

G

R

R

Q

Q

I

M

F

I

L

V

P

P

E

Q

V

F

G

G

E

L

A

Q

G
|
G

L

Q

L

L

Q

K

L

L

K

R

Q

D

C

A

H

K

V

V

V

L

I

I

I

V

G

G

C

A

G

G

L

L

G
|
G

Q

C

L

P

A

A

Q

L

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

T

I

I

T

G

L

L

V

V

D

D

D

G

D

D

R

T

V

V

E

E

L

A

S

S

N

N

L

L

P

H

R
|
R

Q

Q

L

V

L

L

F

H

N

R

E

S

A

R

D

N

I

V

G

G

Q

K

Y

L

K

K

A

V

W

D

V

S

A

A

K

I

Q

E

K

Y

L

L

A

R

V

E

L

L

A

N

P

P

D

H

C

P

Q

T

L

Y

F

I

A

A

F

H

V

Q

Q

A

M

H

L

L

T

T

L

P

D

R

S

E

A

A

E

P

S

D

L

I

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

K

Q

D

S

Y

A

D

L

L

L

I

L

L

D

D

C
|
C

T

T

D

D

N

N

L

P

A

A

A

T

R

R

H

Y

C

L

I

I

N

S

Q

D

L

T

C

A

I

V

E

L

H

L

A

G

L

K

P

P

L

L

V

V

S

S

A

A

S

S

I

A

A

L

A

R

F

T

N
x
E

G

G

Q

Q

L

L

F

M

A

V

V

L

D

N

Q

N

Q

P

R

P

F

Q

P

P

-

P

-

G

-

D

-

K

-

T

A

G

G

G

G

P

C

C

Y

Y

H

R

C

C

V

V

F

F

P

P

A

K

D

P

T

P

Y

P

A

A

P

N

Q

S

-

V

-

T

N

S

C

C

S

A

N

D

Q

G

G

G

V

I

L

L

G

G

P

P

S

V

V

V

G
|
G

V

T

M

M

A

G

S

V

M

L

Q

Q

A

A

L

S

L

E

A

A

I

I

Q

K

L

V

L

L

L

T

T

S

A

A

T

-

V

-

P

-

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

G

V

E

G

S

A

V

E

E

H

A

L

T

L

P

G

P

R

S

F

L

W

L

R

I

F

F

D

S

A

A

-

Y

K

S

S

S

L

P

Q

Q

W

F

H

R

S

T

A

I

R

K

L

L

-

R

T

S

R

R

D

R

P

P

E

N

C

C

E

A

V

V

C

C

A

S

P

A

S

E

W

A

N

T

T

V

N

-

T

-

D

-

H

-

V

T

L

L

K

E

S

S

V

V

H

R

K

S

G

G

E

S

L

M

G82 (= G32) mutation to D: In cnxF21ts and cnxF24ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.
G100 (= G50) mutation to S: In cnxF1285; impairs molybdopterin biosynthesis.
R130 (= R80) mutation to Q: In cnxF200; impairs molybdopterin biosynthesis.
C185 (= C143) mutation to Y: In cnxF472; impairs molybdopterin biosynthesis.
E215 (≠ N173) mutation to K: In cnxF119; impairs molybdopterin biosynthesis.
G264 (= G215) mutation to S: In cnxF142ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.

P12282 Molybdopterin-synthase adenylyltransferase; MoaD protein adenylase; Molybdopterin-converting factor subunit 1 adenylase; Sulfur carrier protein MoaD adenylyltransferase; EC 2.7.7.80 from Escherichia coli (strain K12) (see 2 papers)
36% identity, 91% coverage: 9:280/300 of query aligns to 2:248/249 of P12282

query
sites
P12282

S

A

S

E

L

L

N

S

D

D

K

Q

D

E

F

M

I

L

R

R

Y

Y

S

N

R
|
R

Q

Q

I

I

F

I

L

L

P

R

E

G

V

F

G

D

E

F

A

D

G

G

L

Q

L

E

Q

A

L

L

K

K

Q

D

C

S

H

R

V

V

V

L

I

I

I

V

G

G

C

L

G

G

L

L

G

G

Q
x
C

L

A

A

A

A

S

Q

Q

Y

Y

L

L

A

A

C

S

A

A

G

G

I

V

G

G

S

N

I

L

T

T

L

L

V

L

D

D

D

F

D

D

R

T

V

V

E

S

L

L

S

S

N

N

L

L

P

Q

R
|
R

Q

Q

L

T

L

L

F

H

N

S

E

D

A

A

D

T

I

V

G

G

Q

Q

Y

P

K

K

A

V

W

E

V

S

A

A

K

R

Q

D

K

A

L

L

A

T

V

R

L

I

A

N

P

P

D

H

C

I

Q

A

L

I

F

T

A

P

F

V

V

N

Q

A

M

L

L

-

T

-

L

L

D

D

S

D

A

A

E

E

S

-

L

L

L

A

A

A

H

L

V

I

A

A

T

-

A

-

N

-

R

-

Q

-

Q

E

S

H

A

D

L

L

L

V

L

L

D

D

C
|
C

T

T

D
|
D

N

N

L

V

A

A

A

V

R

R

H

N

C

Q

I

L

N

N

Q

A

L

G

C
|
C

I

F

E

A

H

A

A

K

L

V

P

P

L

L

V

V

S

S

A

G

S

A

I

A

A

I

A

R

F

M

N

E

G

G

Q

Q

L

I

F

T

A

V

V

F

D

T

Q

Y

Q

Q

R

D

F

G

P

E

A

P

G

-

C
|
C

Y

Y

H

R

C
|
C

V

L

F

S

P

R

A

L

D

F

T

G

Y

E

A

N

P

A

Q

L

N

T

C
|
C

S

V

N

E

Q

A

G

G

V

V

L

M

G

A

P

P

S

L

V

I

G

G

V

V

M

I

A

G

S

S

M

L

Q

Q

A

A

L

M

L

E

A

A

I

I

Q

K

L

M

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

L

E

A

H

G

S

Y

T

G

K

K

P

P

Q

A

A

S

V

-

G

-

A

-

E

-

H

-

L

-

G

G

R

K

F

I

W

V

R

M

F

Y

D

D

A

A

K

M

S

T

L
x
C

Q

Q

W

F

H

R

S

E

A

M

R

K

L

L

T

M

R

R

D

N

P

P

E

G

C
|
C

E

E

V

V

C
|
C

A

G

R14 (= R21) mutation R->A,K: No effect.; mutation to A: No activity; when associated with A-73.
C44 (≠ Q51) mutation to A: No effect.
R73 (= R80) mutation to A: No effect. No activity; when associated with A-14.; mutation to K: Substantially reduced activity.
C128 (= C143) mutation to A: No effect.; mutation to Y: No activity.
D130 (= D145) mutation to A: No activity.; mutation to E: Substantially reduced activity.
C142 (= C157) mutation to A: No effect.
C172 (= C189) mutation to A: No zinc bound and no enzyme activity.
C175 (= C192) mutation to A: No zinc bound and no enzyme activity.
C187 (= C204) mutation to A: No effect.
C231 (≠ L263) mutation to A: No effect.
C244 (= C276) mutation to A: No zinc bound and almost no enzyme activity.
C247 (= C279) mutation to A: No zinc bound and almost no enzyme activity.

1jwbB Structure of the covalent acyl-adenylate form of the moeb-moad protein complex (see paper)
36% identity, 91% coverage: 9:280/300 of query aligns to 1:240/240 of 1jwbB

query
sites
1jwbB

S

A

S

E

L

L

N

S

D

D

K

Q

D

E

F

M

I

L

R

R

Y

Y

S

N

R
|
R

Q

Q

I

I

F

I

L

L

P

R

E

G

V

F

G

D

E

F

A

D

G

G

L

Q

L

E

Q

A

L

L

K

K

Q

D

C

S

H

R

V

V

V

L

I

I

I

V

G
|
G

C

L

G
|
G

L

L

G

G

Q

C

L

A

A

A

A

S

Q

Q

Y

Y

L

L

A

A

C

S

A

A

G

G

I

V

G

G

S

N

I

L

T

T

L

L

V

L

D
|
D

D
x
F

D

D

R

T

V

V

E

S

L

L

S

S

N

N

L

L

P

Q

R

R

Q

Q

L

T

L

L

F

H

N

S

E

D

A

A

D

T

I

V

G

G

Q

Q

Y

P

K
|
K

A

V

W

E

V

S

A

A

K

R

Q

D

K

A

L

L

A

T

V

R

L

I

A

N

P

P

D

H

C

I

Q

A

L

I

F

T

A

P

F

V

V

N

Q

A

M
x
L

L

-

T

-

L

L

D

D

S

D

A

A

E

E

S

-

L

L

L

A

A

A

H

L

V

I

A

A

T

-

A

-

N

-

R

-

Q

-

Q

E

S

H

A

D

L

L

L

V

L

L

D

D

C
|
C

T
|
T

D
|
D

N
|
N

L

V

A

A

A
x
V

R

R

H

N

C

Q

I

L

N

N

Q

A

L

G

C

C

I

F

E

A

H

A

A

K

L

V

P

P

L

L

V

V

S

S

A

G

S

A

I

A

A

I

A

R

F

M

N

E

G

G

Q

Q

L

I

F

T

A

V

V

F

D

T

Q

Y

Q

Q

R

D

F

G

P

E

A

P

G

-

C
|
C

Y

Y

H

R

C

C

V

L

F

-

P

-

A

-

D

-

T

-

Y

-

A

-

P

S

Q

R

N

L

C

F

S

G

N

E

Q

A

G

G

V

V

L

M

G

A

P

P

S

L

V

I

G

G

V

V

M

I

A

G

S

S

M

L

Q

Q

A

A

L

M

L

E

A

A

I

I

Q

K

L

M

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

L

E

A

H

G

S

Y

T

G

K

K

P

P

Q

A

A

S

V

-

G

-

A

-

E

-

H

-

L

-

G

G

R

K

F

I

W

V

R

M

F

Y

D

D

A

A

K

M

S

T

L

C

Q

Q

W

F

H

R

S

E

A

M

R

K

L

L

T

M

R

R

D

N

P

P

E

G

C
|
C

E

E

V

V

C
|
C

A

G

active site: R13 (= R21), D129 (= D145)
binding adenosine monophosphate: G37 (= G45), G39 (= G47), G40 (= G48), D61 (= D69), F62 (≠ D70), K85 (= K93), L108 (≠ M116), C127 (= C143), T128 (= T144), D129 (= D145), N130 (= N146), V133 (≠ A149)
binding zinc ion: C171 (= C189), C236 (= C276), C239 (= C279)

1jw9B Structure of the native moeb-moad protein complex (see paper)
36% identity, 91% coverage: 9:280/300 of query aligns to 1:240/240 of 1jw9B

query
sites
1jw9B

S

A

S

E

L

L

N

S

D

D

K

Q

D

E

F

M

I

L

R

R

Y

Y

S

N

R
|
R

Q

Q

I

I

F

I

L

L

P

R

E

G

V

F

G

D

E

F

A

D

G

G

L

Q

L

E

Q

A

L

L

K

K

Q

D

C

S

H

R

V

V

V

L

I

I

I

V

G

G

C

L

G

G

L

L

G

G

Q

C

L

A

A

A

A

S

Q

Q

Y

Y

L

L

A

A

C

S

A

A

G

G

I

V

G

G

S

N

I

L

T

T

L

L

V

L

D

D

D

F

D

D

R

T

V

V

E

S

L

L

S

S

N

N

L

L

P

Q

R

R

Q

Q

L

T

L

L

F

H

N

S

E

D

A

A

D

T

I

V

G

G

Q

Q

Y

P

K

K

A

V

W

E

V

S

A

A

K

R

Q

D

K

A

L

L

A

T

V

R

L

I

A

N

P

P

D

H

C

I

Q

A

L

I

F

T

A

P

F

V

V

N

Q

A

M

L

L

-

T

-

L

L

D

D

S

D

A

A

E

E

S

-

L

L

L

A

A

A

H

L

V

I

A

A

T

-

A

-

N

-

R

-

Q

-

Q

E

S

H

A

D

L

L

L

V

L

L

D

D

C

C

T

T

D
|
D

N

N

L

V

A

A

A

V

R

R

H

N

C

Q

I

L

N

N

Q

A

L

G

C

C

I

F

E

A

H

A

A

K

L

V

P

P

L

L

V

V

S

S

A

G

S

A

I

A

A

I

A

R

F

M

N

E

G

G

Q

Q

L

I

F

T

A

V

V

F

D

T

Q

Y

Q

Q

R

D

F

G

P

E

A

P

G

-

C
|
C

Y

Y

H

R

C

C

V

L

F

-

P

-

A

-

D

-

T

-

Y

-

A

-

P

S

Q

R

N

L

C

F

S

G

N

E

Q

A

G

G

V

V

L

M

G

A

P

P

S

L

V

I

G

G

V

V

M

I

A

G

S

S

M

L

Q

Q

A

A

L

M

L

E

A

A

I

I

Q

K

L

M

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

L

E

A

H

G

S

Y

T

G

K

K

P

P

Q

A

A

S

V

-

G

-

A

-

E

-

H

-

L

-

G

G

R

K

F

I

W

V

R

M

F

Y

D

D

A

A

K

M

S

T

L

C

Q

Q

W

F

H

R

S

E

A

M

R

K

L

L

T

M

R

R

D

N

P

P

E

G

C
|
C

E

E

V

V

C
|
C

A

G

active site: R13 (= R21), D129 (= D145)
binding zinc ion: C171 (= C189), C236 (= C276), C239 (= C279)

O95396 Adenylyltransferase and sulfurtransferase MOCS3; Molybdenum cofactor synthesis protein 3; Molybdopterin synthase sulfurylase; MPT synthase sulfurylase; EC 2.7.7.80; EC 2.8.1.11 from Homo sapiens (Human) (see 5 papers)
40% identity, 74% coverage: 8:228/300 of query aligns to 52:263/460 of O95396

query
sites
O95396

S

K

S

A

L

L

N

S

D

R

K

D

D

E

F

I

I

L

R

R

Y

Y

S

S

R

R

Q

Q

I

L

F

V

L

L

P

P

E

E

V

L

G

G

E

V

A

H

G

G

L

Q

L

L

Q

R

L

L

K

G

Q

T

C

A

H

C

V

V

V

L

I

I

I

V

G

G

C

C

G

G

L

L

G

G

Q

C

L

P

A

L

A

A

Q

Q

Y

Y

L

L

A

A

C

A

A

A

G

G

I

V

G

G

S

R

I

L

T

G

L

L

V

V

D

D

D

Y

D

D

R

V

V

V

E

E

L

M

S

S

N

N

L

L

P

A

R

R

Q

Q

L

V

L

L

F

H

N

G

E

E

A

A

D

L

I

A

G

G

Q

Q

Y

A

K

K

A

A

W

F

V

S

A

A

K

A

Q

A

K

S

L

L

A

R

V

R

L

L

A

N

P

S

D

A

C

V

Q

E

L

C

F

V

A

P

F

Y

V
x
T

Q
|
Q

M
x
A

L
|
L

T
|
T

L
x
P

D
x
A

S
x
T

A
|
A

E
x
L

S
x
D

L
|
L

L
x
V

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q
x
R

S
x
Y

A
x
D

L
x
V

L
x
A

D
|
D

C
|
C

T
x
S

D
|
D

N
|
N

L
x
V

A
x
P

A
x
T

R
|
R

H
x
Y

C
x
L

I
x
V

N
|
N

Q
x
D

L
x
A

C
|
C

I
x
V

E
x
L

H
x
A

A
x
G

L
x
R

P
|
P

L
|
L

V
|
V

S
|
S

A
|
A

S
|
S

I
x
A

A
x
L

A
x
R

F
|
F

N
x
E

G
|
G

Q
|
Q

L
x
I

F
x
T

A
x
V

V
x
Y

D

-

Q

-

R
x
H

F
x
Y

P
x
D

A
x
G

G
|
G

G
x
P

C
|
C

Y
|
Y

H
x
R

C
|
C

V
x
I

F
|
F

P
|
P

A
x
Q

D
x
P

T
x
P

Y
x
P

A
|
A

P
x
E

-
x
T

-
x
V

Q
x
T

N
|
N

C
|
C

S

A

N

D

Q

G

G

G

V

V

L

L

G

G

P

V

S

V

V

T

G

G

V

V

M

L

A

G

S

C

M

L

Q

Q

A

A

L

L

L

E

A

V

I

L

Q

K

L

I

158:238 (vs. 114:203, 32% identical) Interaction with NFS1
C239 (= C204) mutation to A: Impairs sulfurtransferase activity.

Sites not aligning to the query:

316 modified: Disulfide link with 324; C→A: Does not affect sulfurtransferase activity.
324 modified: Disulfide link with 316; C→A: Does not affect sulfurtransferase activity.
365 C→A: Does not affect sulfurtransferase activity.
412 active site, Cysteine persulfide intermediate; for sulfurtransferase activity; modified: Cysteine persulfide; C→A: Abolishes sulfurtransferase activity.
413 K→R: Does not affect sulfurtransferase specificity and activity.
414 L→K: Does not affect sulfurtransferase specificity and activity.
415 G→A: Does not affect sulfurtransferase specificity and activity.
416 N→V: Does not affect sulfurtransferase specificity and activity.
417 D→R: Results in 470-fold increased activity.; D→T: Results in 90-fold increased activity.
458 P→G: Does not affect sulfurtransferase specificity and activity.
460 Y→A: Does not affect sulfurtransferase specificity and activity.

6yubA Crystal structure of uba4 from chaetomium thermophilum (see paper)
36% identity, 74% coverage: 9:231/300 of query aligns to 4:215/423 of 6yubA

query
sites
6yubA

S

K

S

S

L

L

N

S

D

K

K

E

D

E

F

I

I

E

R

R

Y

Y

S

S

R

R

Q

Q

I

M

F

I

L

V

P

P

E

G

V

M

G

G

E

K

A

E

G

G

L

Q

L

L

Q

R

L

L

K

M

Q

N

C

A

H

K

V

V

V

L

I

I

G

G

C

A

G

G

L

L

G

G

Q

C

L

P

A

A

Q

Q

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

T

I

I

T

G

L

I

V

V

D

D

D

G

D

D

R

S

V

V

E

E

L

T

S

S

N

N

L

L

P

H

R

R

Q

Q

L

V

L

A

F

H

N

A

E

T

A

K

D

R

I

V

G

G

Q

M

Y

L

K

K

A

V

W

D

V

S

A

L

K

I

Q

T

K

H

L

L

A

I

V

E

L

I

A

N

P

P

D

L

C

P

Q

V

L

Y

F

V

A

P

F

Y

V

R

Q

F

M

D

L

L

T

T

L

P

D

Q

S

N

A

A

E

A

S

Q

L

I

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

K

Q

P

S

W

A

D

L

V

L

I

L

L

D

D

C

C

T

T

D

D

N

N

L

P

A

A

A

T

R

R

H

Y

C

L

I

I

N

S

Q

D

L

V

C

C

I

V

E

L

H

L

A

G

L

K

P

P

L

L

V

V

S

S

A

A

S

A

I

S

A

V

A

Q

F

K

N

S

G

G

Q

Q

L

L

F

I

A

V

V

L

D

N

Q

C

Q

P

R

P

F

T

P

P

A

Q

G

G

-

V

-

N

-

K

-

A

G

P

C
|
C

Y

Y

H

R

C
|
C

V

C

F

F

P

-

A

-

D

-

T

-

Y

-

A

-

P

-

Q

-

N

-

C

-

S

K

N

K

Q

P

G

G

V

I

L

M

G

G

P

P

S

V

V

V

G

G

V

M

M

M

A

G

S

V

M

A

Q

Q

A

A

L

G

L

E

A

A

I

I

Q

K

L

I

L

L

L

V

T

S

binding zinc ion: C183 (= C189), C186 (= C192)

Sites not aligning to the query:

binding zinc ion: 266, 269

6yubB Crystal structure of uba4 from chaetomium thermophilum (see paper)
36% identity, 74% coverage: 9:231/300 of query aligns to 5:214/289 of 6yubB

query
sites
6yubB

S

K

S

S

L

L

N

S

D

K

K

E

D

E

F

I

I

E

R

R

Y

Y

S

S

R

R

Q

Q

I

M

F

I

L

V

P

P

E

G

V

M

G

G

E

K

A

E

G

G

L

Q

L

L

Q

R

L

L

K

M

Q

N

C

A

H

K

V

V

V

L

I

I

G

G

C

A

G

G

L

L

G

G

Q

C

L

P

A

A

Q

Q

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

T

I

I

T

G

L

I

V

V

D

D

D

G

D

D

R

S

V

V

E

E

L

T

S

S

N

N

L

L

P

H

R

R

Q

Q

L

V

L

A

F

H

N

A

E

T

A

K

D

R

I

V

G

G

Q

M

Y

L

K

K

A

V

W

D

V

S

A

L

K

I

Q

T

K

H

L

L

A

I

V

E

L

I

A

N

P

P

D

L

C

P

Q

V

L

Y

F

V

A

P

F

Y

V

R

Q

F

M

D

L

L

T

T

L

P

D

Q

S

N

A

A

E

A

S

Q

L

I

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

K

Q

P

S

W

A

D

L

V

L

I

L

L

D

D

C

C

T

T

D

D

N

N

L

P

A

A

A

T

R

R

H

Y

C

L

I

I

N

S

Q

D

L

V

C

C

I

V

E

L

H

L

A

G

L

K

P

P

L

L

V

V

S

S

A

A

S

A

I

S

A

V

A

Q

F

K

N

S

G

G

Q

Q

L

L

F

I

A

V

V

L

D

N

Q

C

Q

P

R

P

F

T

P

P

A

Q

G

G

-

V

-

N

-

K

-

A

G

P

C
|
C

Y

Y

H

R

C
|
C

V

C

F

F

P

-

A

-

D

-

T

-

Y

-

A

-

P

-

Q

-

N

-

C

-

S

-

N

-

Q

K

G

G

V

I

L

M

G

G

P

P

S

V

V

V

G

G

V

M

M

M

A

G

S

V

M

A

Q

Q

A

A

L

G

L

E

A

A

I

I

Q

K

L

I

L

L

L

V

T

S

binding zinc ion: C184 (= C189), C187 (= C192)

Sites not aligning to the query:

binding zinc ion: 265

1jwaB Structure of the atp-bound moeb-moad protein complex (see paper)
35% identity, 88% coverage: 9:272/300 of query aligns to 1:217/217 of 1jwaB

query
sites
1jwaB

S

A

S

E

L

L

N

S

D

D

K

Q

D

E

F

M

I

L

R

R

Y

Y

S

N

R
|
R

Q

Q

I

I

F

I

L

L

P

R

E

G

V

F

G

D

E

F

A

D

G

G

L

Q

L

E

Q

A

L

L

K

K

Q

D

C

S

H

R

V

V

V

L

I

I

I

V

G

G

C

L

G
|
G

L

L

G

G

Q

C

L

A

A

A

A

S

Q

Q

Y

Y

L

L

A

A

C

S

A

A

G

G

I

V

G

G

S

N

I

L

T

T

L

L

V

L

D
|
D

D
x
F

D

D

R

T

V

V

E

S

L

L

S

S

N

N

L

L

P

Q

R
|
R

Q

Q

L

T

L

L

F

H

N

S

E

D

A

A

D

T

I

V

G

G

Q

Q

Y

P

K
|
K

A

V

W

E

V

S

A

A

K

R

Q

D

K

A

L

L

A

T

V

R

L

I

A

N

P

P

D

H

C

I

Q

A

L

I

F

T

A

P

F

V

V

N

Q

A

M
x
L

L

-

T

-

L

L

D

D

S

D

A

A

E

E

S

-

L

L

L

A

A

A

H

L

V

I

A

A

T

-

A

-

N

-

R

-

Q

-

Q

E

S

H

A

D

L

L

L

V

L

L

D

D

C

C

T

T

D
|
D

N
|
N

L

V

A

A

A
x
V

R

R

H

N

C

Q

I

L

N

N

Q

A

L

G

C

C

I

F

E

A

H

A

A

K

L

V

P

P

L

L

V

V

S

S

A

G

S

A

I

A

A

I

A

R

F

M

N

E

G

G

Q

Q

L

I

F

-

A

-

V

-

D

-

Q

-

R

-

F

-

P

-

A

-

G

-

C

-

Y

-

H

-

C

T

V

V

F

F

P

-

A

-

D

-

T

T

Y

Y

A

-

P

-

Q

-

N

-

C

-

S

-

N

E

Q

A

G

G

V

V

L

M

G

A

P

P

S

L

V

I

G

G

V

V

M

I

A

G

S

S

M

L

Q

Q

A

A

L

M

L

E

A

A

I

I

Q

K

L

M

L

-

T

-

A

-

T

-

V

-

P

-

N

-

L

L

E

A

H

G

S

Y

T

G

K

K

P

P

Q

A

A

S

V

-

G

-

A

-

E

-

H

-

L

-

G

G

R

K

F

I

W

V

R

M

F

Y

D

D

A

A

K

M

S

T

L

C

Q

Q

W

F

H

R

S

E

A

M

R

K

L

L

T

M

R

R

active site: R13 (= R21), D129 (= D145)
binding adenosine-5'-triphosphate: G39 (= G47), G40 (= G48), D61 (= D69), F62 (≠ D70), R72 (= R80), K85 (= K93), L108 (≠ M116), D129 (= D145), N130 (= N146), V133 (≠ A149)

P38820 Adenylyltransferase and sulfurtransferase UBA4; Needs CLA4 to survive protein 3; Ubiquitin-like protein activator 4; EC 2.7.7.-; EC 2.8.1.- from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 4 papers)
32% identity, 75% coverage: 5:230/300 of query aligns to 33:251/440 of P38820

query
sites
P38820

A

S

Q

S

K

R

S

D

S

Y

S

P

L

L

N

S

D

L

K

E

D

E

F

Y

I

Q

R

R

Y

Y

S

G

R

R

Q

Q

I

M

F

I

L

V

P

E

E

E

V

T

G

G

E

G

-

V

A

A

G

G

L

Q

L

V

Q

K

L

L

K

K

Q

N

C

T

H

K

V

V

V

L

I

V

G

G

C

A

G

G

L

L

G

G

Q

C

L

P

A

A

A

L

Q

P

Y

Y

L

L

A

A

C

G

A

A

G

G

I

V

G

G

S

Q

I

I

T

G

L

I

V

V

D

D

D

N

D

D

R

V

V

V

E

E

L

T

S

S

N

N

L

L

P

H

R

R

Q

Q

L

V

L

L

F

H

N

D

E

S

A

S

D

R

I

V

G

G

Q

M

Y

L

K

K

A

C

W

E

V

S

A

A

K

R

Q

Q

K

Y

L

I

A

T

V

K

L

L

A

N

P

P

D

H

C

I

Q

N

L

V

F

V

A

T

F

Y

V

P

Q

V

M

R

L

L

T

N

L

S

D

S

S

N

A

A

E

F

S

D

L

I

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

K

Q

G

S

Y

A

N

L

Y

L

I

L

L

D

D

C

C

T

T

D

D

N

S

L

P

A

L

A

T

R

R

H

Y

C

L

I

V

N

S

Q

D

L

V

C

A

I

V

E

N

H

L

A

G

L

I

P

T

L

V

V

V

S

S

A

A

S

S

I

G

A

L

A

G

F

T

N

E

G

G

Q

Q

L

L

F

T

A

I

V

L

D

N

Q

F

Q

N

R

N

F

I

P

-

A

-

G

G

G

P

C

C

Y

Y

H

R

C

C

V

F

F

Y

P

P

A

-

D

-

T

T

Y

P

A

P

P

P

Q

P

N

N

-

A

-

V

-

T

-

S

C
|
C

S

Q

N

E

Q

G

G

G

V

V

L

I

G

G

P

P

S

C

V

I

G

G

V

L

M

V

A

G

S

T

M

M

Q

M

A

A

L

V

L

E

A

T

I

L

Q

K

L

L

L

I

L

L

C225 (= C204) mutation C->A,S: Abolishes adenylyltransferase activity but not sulfurtransferase activity.

Sites not aligning to the query:

397 mutation C->A,S: Abolishes sulfurtransferase activity but not adenylyltransferase activity.

Q72J02 Sulfur carrier protein adenylyltransferase; E1-like protein TtuC; Sulfur carrier protein MoaD adenylyltransferase; Sulfur carrier protein ThiS adenylyltransferase; Sulfur carrier protein TtuB adenylyltransferase; tRNA two-thiouridine-synthesizing protein C; EC 2.7.7.80; EC 2.7.7.73; EC 2.7.7.- from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
32% identity, 93% coverage: 12:289/300 of query aligns to 4:264/271 of Q72J02

query
sites
Q72J02

N

T

D

K

K

E

D

E

F

L

I

D

R

R

Y

Y

S

H

R

R

Q

Q

I

M

F

I

L

L

P

P

E

Q

V

V

G

G

E

P

A

E

G

G

L

Q

L

E

Q

R

L

L

K

K

Q

R

C

A

H

S

V

V

I

V

G

G

C

A

G

G

L

L

G

G

Q

V

L

P

A

V

A

L

Q

Q

Y

Y

L

L

A

V

C

A

A

A

G

G

I

V

G

G

S

R

I

V

T

G

L

V

V

V

D

E

D

M

D

D

R

R

V

V

E

E

L

V

S

S

N

N

L

L

P

H

R

R

Q

Q

L

V

L

L

F

Y

N

T

E

T

A

E

D

D

I

V

G

G

Q

E

Y

P

K

K

A

A

W

L

V

V

A

A

K

Q

Q

K

K

R

L

L

A

Q

V

A

L

L

A

N

P

P

D

L

C

V

Q

R

L

V

F

E

A

A

F

Y

V

P

Q

V

M

R

L

L

T

T

L

S

D

E

S

N

A

A

E

L

S

E

L

I

L

L

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

P

S

Y

A

D

L

L

L

V

D

D

C

A

T

S

D

D

N

N

L

F

A

P

A

T

R

R

H

Y

C

L

I

V

N

N

Q

D

L

A

C

A

I

V

E

L

H

L

A

G

L

K

P

P

L

L

V

V

S

F

A

G

S

A

I

I

A

Y

A

Q

F

F

N

D

G

G

Q

Q

L

V

F

A

A

V

V

F

D

H

Q

H

Q

P

R

T

F

L

-

H

-

G

P

E

A

M

G

G

G

P

C

C

Y

Y

H

R

C

C

V

L

F

F

P

P

A

K

D

P

T

P

Y

P

-

P

-

G

A

A

P

V

Q

P

N

S

C
|
C

S

A

N

E

Q

A

G

G

V

V

L

F

G

G

P

V

S

L

V

P

G

A

V

V

M

V

A

G

S

S

M

L

Q

M

A

A

L

A

L

E

A

A

I

L

Q

K

L

V

L

L

T

G

A

I

T

G

V

K

P

P

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

-

V

-

G

-

A

-

E

-

H

-

L

L

L

A

G

G

R

H

F

L

W

L

R

L

F

Y

D

D

A

A

K

L

S

E

L

A

Q

S

W

F

H

R

S

K

A

L

R

T

L

V

T

R

R

R

D

N

P

P

E

R

C

C

E

P

V

V

C

C

A

G

-

D

-

E

P

P

S

T

W

Q

N

R

T

E

N

L

T

V

D

D

H

Y

C192 (= C204) modified: Glycyl cysteine thioester (Cys-Gly) (interchain with G-Cter in TtuB); mutation to S: Not able to form a thioester complex with TtuB.

Sites not aligning to the query:

268 C→S: Still able to form a thioester complex with TtuB.

D4GSF3 SAMP-activating enzyme E1; Ubiquitin-like activating enzyme of archaea; Ubl-activating enzyme; EC 2.7.7.- from Haloferax volcanii (strain ATCC 29605 / DSM 3757 / JCM 8879 / NBRC 14742 / NCIMB 2012 / VKM B-1768 / DS2) (Halobacterium volcanii) (see paper)
35% identity, 90% coverage: 10:280/300 of query aligns to 4:249/270 of D4GSF3

query
sites
D4GSF3

S

S

L

L

N

D

D

A

K

T

D

Q

F

L

I

D

R

R

Y

Y

S

S

R

R

Q

H

I

I

F

I

L

M

P

D

E

E

V

V

G

G

E

P

A

E

G

G

L

Q

L

G

Q

R

L

L

K

L

Q

S

C

S

H

R

V

V

I

V

G

G

C

A

G

G

L

L

G

G

Q

A

L

P

A

A

A

I

Q

Q

Y

Y

L

L

A

A

C

A

A

V

G

G

I

V

G

G

S

E

I

L

T

V

L

V

V

V

D

D

R

V

V

V

E

E

L

R

S

S

N

N

L

L

P

Q

R

R

Q

Q

L

V

F

H

N

C

E

D

A

D

D

D

I

V

G

G

Q

T

Y

P

K

K

A

A

W

E

V

S

A

A

K

A

Q

-

K

-

L

-

A

-

V

-

L

-

A

-

P

-

D

-

C

-

Q

-

L

-

F

-

A

A

F

F

V

V

Q

R

M

G

L

L

T

N

L

P

D

D

-

V

S

S

A

V

E

E

S

P

L

V

L

E

A

A

H

R

V

V

A

D

T

K

A

S

N

N

R

V

Q

H

Q

E

-

V

-

A

-

G

S

S

A

D

L

V

D

D

C

A

T

S

D

D

N

N

L

F

A

P

A

T

R

R

H

Y

C

L

I

L

N

N

Q

D

L

V

C

C

I

R

E

F

H

E

A

G

L

I

P

P

L

L

V

V

S

H

A

G

S

A

I

I

A

Y

A

K

F

F

N

E

G

G

Q

Q

L

A

F

T

A

T

V

L

D

-

Q

-

R

-

F

V

P

P

A

D

G

G

G

P

C

C

Y

Y

H

R

C

C

V

L

F

F

P

P

A

E

D

-

T

-

Y

-

A

A

P

P

Q

E

-

P

-

G

-

T

-

V

-

P

N

D

C
|
C

S

A

N

T

Q

T

G

G

V

V

L

L

G

G

P

V

S

L

V

P

G

G

V

T

M

V

A

G

S

C

M

I

Q

Q

A

A

L

T

L

E

A

A

I

M

Q

K

L

L

T

D

A

E

T

-

V

-

P

-

N

-

L

-

E

-

H

-

S

-

T

-

K

-

P

-

Q

-

A

-

V

-

G

-

A

G

E

E

H

A

L

L

L

D

G

G

R

R

F

L

W

L

R

F

F

Y

D

D

A

A

K

M

S

D

L

M

Q

T

W

F

H

E

S

T

A

V

R

P

L

Y

T

R

R

T

D

N

P

P

E

D

C

C

E

P

V

V

C

C

A

G

C188 (= C204) mutation to S: Loss of activity since this mutant is not able to complement a ubaA deletion in trans to restore sampylation and tRNA thiolation.

Q7SXG4 SUMO-activating enzyme subunit 2; Ubiquitin-like 1-activating enzyme E1B; Ubiquitin-like modifier-activating enzyme 2; EC 2.3.2.- from Danio rerio (Zebrafish) (Brachydanio rerio) (see paper)
30% identity, 52% coverage: 36:192/300 of query aligns to 16:162/650 of Q7SXG4

query
sites
Q7SXG4

L

L

K

S

Q

S

C

C

H

R

V

V

V

L

I

V

G

G

C

A

G

G

L

I

G

G

Q

C

L

E

A

L

Q

K

Y

N

L

L

A

V

C

L

A

T

G

G

I

F

G

K

S

N

I

I

T

E

L

V

V

I

D

D

D

L

D

D

R

T

V

I

E

D

L

V

S

S

N

N

L

L

P

N

R

R

Q

Q

L

F

L

L

F

F

N

Q

E

K

A

K

D

H

I

V

G

G

Q

K

Y

S

K

K

A

A

W

Q

V

V

A

A

K

K

Q

E

K

S

L

V

A

L

V

R

L

F

A

C

P

P

D

S

C

A

Q

N

L

I

F

T

A

A

F

Y

V

-

Q

-

M

-

L

-

T

-

L

H

D

D

S

S

A

I

E

M

S

N

L

P

L

D

A

Y

H

N

V

V

A

E

T

F

A

F

N

R

R

N

Q

F

Q

Q

S

-

A

-

L

L

L

V

L

M

D

N

C

A

T

L

D

D

N

N

L

R

A

A

R

R

H

N

C

H

I

V

N

N

Q

R

L

M

C

C

I

L

E

A

H

A

A

D

L

I

P

P

L

L

V

I

S

E

A

S

S

G

I

T

A

A

A

G

F

Y

N

L

G

G

Q

Q

L

V

F

T

A

V

V

I

D

K

Q

K

Q

G

R

Q

F

-

P

-

A

-

G

T

G

E

C

C

Y

Y

H

E

C

C

Sites not aligning to the query:

599 modified: Phosphoserine

6xoiB Structure of sumo1-ml00752641 adduct bound to sae (see paper)
29% identity, 52% coverage: 40:196/300 of query aligns to 12:158/403 of 6xoiB

query
sites
6xoiB

H

R

V

V

V

L

I

V

G

G

C

A

G

G

G
|
G

L

I

G

G

Q

C

L

E

A

L

Q

K

Y

N

L

L

A

V

C

L

A

T

G

G

I

F

G

S

S

H

I

I

T

D

L

L

V

I

D
|
D

D
x
L

D

D

R

T

V

I

E

D

L

V

S

S

N

N

L

L

P

N

R

R

Q

Q

L

F

L

L

F

F

N

Q

E

K

A

K

D

H

I

V

G

G

Q

R

Y

S

K
|
K

A

A

W

Q

V

V

A

A

K

K

Q

E

K

S

L

V

A

L

V

Q

L

F

A

Y

P

P

D

K

C

A

Q

N

L

I

F

V

A

A

F

Y

-

H

V

D

Q
x
S

M
x
I

L

M

T

N

L

P

D

D

S

Y

A

N

E

V

S

E

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

Q

S

F

A

I

L

L

L

V

L

M

D

N

C
x
A

T
x
L

D
|
D

N
|
N

L

R

A

A

R

R

H

N

C

H

I

V

N

N

Q

R

L

M

C

C

I

L

E

A

H

A

A

D

L

V

P

P

L

L

V

I

S

E

A

S

S

G

I

T

A

A

A

G

F

Y

N

L

G

G

Q

Q

L

V

F

T

A

T

V

I

D

K

Q

K

Q

G

R

-

F

-

P

-

A

V

G

T

G

E

C
|
C

Y

Y

H

E

C
|
C

V

H

F

F

P

P

A

G

active site: D110 (= D145)
binding [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate: G20 (= G48), D41 (= D69), L42 (≠ D70), K65 (= K93), S88 (≠ Q115), I89 (≠ M116), A108 (≠ C143), L109 (≠ T144), D110 (= D145), N111 (= N146)
binding zinc ion: C151 (= C189), C154 (= C192)

Sites not aligning to the query:

active site: 159, 160, 162
binding zinc ion: 353, 356

6xogB Structure of sumo1-ml786519 adduct bound to sae (see paper)
29% identity, 53% coverage: 40:199/300 of query aligns to 12:160/500 of 6xogB

query
sites
6xogB

H

R

V

V

V

L

I

V

G

G

C

A

G

G

L

I

G

G

Q

C

L

E

A

L

Q

K

Y

N

L

L

A

V

C

L

A

T

G

G

I

F

G

S

S

H

I

I

T

D

L

L

V

I

D
|
D

D
x
L

D

D

R

T

V

I

E

D

L

V

S

S

N

N

L

L

P

N

R

R

Q

Q

L

F

L

L

F

F

N

Q

E

K

A

K

D

H

I

V

G

G

Q

R

Y

S

K
|
K

A

A

W

Q

V

V

A

A

K

K

Q

E

K

S

L

V

A

L

V

Q

L

F

A

Y

P

P

D

K

C

A

Q

N

L

I

F

V

A

A

F

Y

-

H

V

D

Q
x
S

M
x
I

L
x
M

T

N

L

P

D

D

S

Y

A

N

E

V

S

E

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

Q

S

F

A

I

L

L

L

V

L

M

D

N

C
x
A

T

L

D
|
D

N
|
N

L

R

A

A

R

R

H

N

C

H

I

V

N

N

Q

R

L

M

C

C

I

L

E

A

H

A

A

D

L

V

P

P

L

L

V

I

S

E

A

S

S

G

I

T

A

A

A

G

F

Y

N

L

G

G

Q

Q

L

V

F

T

A

T

V

I

D

K

Q

K

Q

G

R

-

F

-

P

-

A

V

G

T

G

E

C
|
C

Y

Y

H

E

C
|
C

V

-

F

H

P

P

A

K

D

P

T

T

Y

F

active site: D110 (= D145)
binding {(1R,2R,3S,4R)-4-[(5-{4-[(1S)-1-(6-bromopyridin-2-yl)-1-hydroxyethyl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl}methyl sulfamate: D41 (= D69), L42 (≠ D70), K65 (= K93), S88 (≠ Q115), I89 (≠ M116), M90 (≠ L117), A108 (≠ C143), D110 (= D145), N111 (= N146)
binding zinc ion: C151 (= C189), C154 (= C192)

Sites not aligning to the query:

active site: 163, 164, 166
binding zinc ion: 398, 401

6xohB Structure of sumo1-ml00789344 adduct bound to sae (see paper)
29% identity, 53% coverage: 40:199/300 of query aligns to 14:162/490 of 6xohB

query
sites
6xohB

H

R

V

V

V

L

I

V

G

G

C

A

G

G

L

I

G

G

Q

C

L

E

A

L

Q

K

Y

N

L

L

A

V

C

L

A

T

G

G

I

F

G

S

S

H

I

I

T

D

L

L

V

I

D
|
D

D
x
L

D

D

R

T

V

I

E

D

L

V

S

S

N

N

L

L

P

N

R

R

Q

Q

L

F

L

L

F

F

N

Q

E

K

A

K

D

H

I

V

G

G

Q

R

Y

S

K
|
K

A

A

W

Q

V

V

A

A

K

K

Q

E

K

S

L

V

A

L

V

Q

L

F

A

Y

P

P

D

K

C

A

Q

N

L

I

F

V

A

A

F

Y

-

H

V

D

Q
x
S

M
x
I

L
x
M

T

N

L

P

D

D

S

Y

A

N

E

V

S

E

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

Q

S

F

A

I

L

L

L

V

L

M

D

N

C

A

T
x
L

D
|
D

N
|
N

L

R

A

A

R

R

H

N

C

H

I

V

N

N

Q

R

L

M

C

C

I

L

E

A

H

A

A

D

L

V

P

P

L

L

V

I

S

E

A

S

S

G

I

T

A

A

A

G

F

Y

N

L

G

G

Q

Q

L

V

F

T

A

T

V

I

D

K

Q

K

Q

G

R

-

F

-

P

-

A

V

G

T

G

E

C
|
C

Y

Y

H

E

C
|
C

V

-

F

H

P

P

A

K

D

R

T

T

Y

F

active site: D112 (= D145)
binding {(1R,2S,4R)-4-[(5-{4-[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]thiophene-2-carbonyl}pyrimidin-4-yl)amino]-2-hydroxycyclopentyl}methyl sulfamate: D43 (= D69), L44 (≠ D70), K67 (= K93), S90 (≠ Q115), I91 (≠ M116), M92 (≠ L117), L111 (≠ T144), D112 (= D145), N113 (= N146)
binding zinc ion: C153 (= C189), C156 (= C192)

Sites not aligning to the query:

active site: 165, 166, 168
binding zinc ion: 391, 394

3kydB Human sumo e1~sumo1-amp tetrahedral intermediate mimic (see paper)
29% identity, 51% coverage: 40:192/300 of query aligns to 16:158/477 of 3kydB

query
sites
3kydB

H

R

V

V

V

L

I

V

G

G

C

A

G

G

L
x
I

G

G

Q

C

L

E

A

L

Q

K

Y

N

L

L

A

V

C

L

A

T

G

G

I

F

G

S

S

H

I

I

T

D

L

L

V

I

D
|
D

D
x
L

D

D

R

T

V

I

E

D

L

V

S

S

N

N

L

L

P

N

R

R

Q

Q

L

F

L

L

F

F

N

Q

E

K

A

K

D

H

I

V

G

G

Q

R

Y

S

K
|
K

A

A

W

Q

V

V

A

A

K

K

Q

E

K

S

L

V

A

L

V

Q

L

F

A

Y

P

P

D

K

C

A

Q

N

L

I

F

V

A

A

F

Y

-

H

V

D

Q
x
S

M
x
I

L

M

T

N

L

P

D

D

S

Y

A

N

E

V

S

E

L

F

A

-

H

-

V

-

A

-

T

-

A

-

N

-

R

-

Q

R

Q

Q

S

F

A

I

L

L

L

V

L

M

D

N

C

A

T
x
L

D
|
D

N
|
N

L

R

A

A

R

R

H

N

C

H

I

V

N

N

Q

R

L

M

C

C

I

L

E

A

H

A

A

D

L

V

P

P

L

L

V

I

S

E

A

S

S

G

I

T

A

A

A

G

F

Y

N

L

G

G

Q

Q

L

V

F

T

A

T

V

I

D

K

Q

K

Q

G

R

-

F

-

P

-

A

V

G

T

G

E

C
|
C

Y

Y

H

E

C
|
C

active site: D114 (= D145)
binding 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine: I25 (≠ L49), D45 (= D69), L46 (≠ D70), K69 (= K93), S92 (≠ Q115), I93 (≠ M116), L113 (≠ T144), D114 (= D145), N115 (= N146)
binding zinc ion: C155 (= C189), C158 (= C192)

Sites not aligning to the query:

active site: 170, 171, 173
binding 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine: 170, 173
binding zinc ion: 370, 373

Query Sequence

>201587 FitnessBrowser__MR1:201587
MSATAQKSSSLNDKDFIRYSRQIFLPEVGEAGLLQLKQCHVVIIGCGGLGQLAAQYLACA
GIGSITLVDDDRVELSNLPRQLLFNEADIGQYKAWVAKQKLAVLAPDCQLFAFVQMLTLD
SAESLLAHVATANRQQSALLLDCTDNLAARHCINQLCIEHALPLVSASIAAFNGQLFAVD
QQRFPAGGCYHCVFPADTYAPQNCSNQGVLGPSVGVMASMQALLAIQLLLTATVPNLEHS
TKPQAVGAEHLLGRFWRFDAKSLQWHSARLTRDPECEVCAPSWNTNTDHVLKSVHKGELL

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