SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013841437.1 NCBI__GCF_000215085.1:WP_013841437.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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)
46% identity, 57% coverage: 179:424/428 of query aligns to 63:309/453 of Q9VLJ8

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Q9VLJ8

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Sites not aligning to the query:

62 modified: Phosphothreonine

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)
46% identity, 58% coverage: 179:425/428 of query aligns to 2:253/271 of Q72J02

query
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Q72J02

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C192 (≠ T364) 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)
46% identity, 58% coverage: 180:426/428 of query aligns to 5:250/270 of D4GSF3

query
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D4GSF3

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C188 (≠ T364) 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.

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)
41% identity, 58% coverage: 177:426/428 of query aligns to 1:249/249 of P12282

query
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P12282

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R14 (= R190) mutation R->A,K: No effect.; mutation to A: No activity; when associated with A-73.
C44 (≠ S220) mutation to A: No effect.
R73 (= R249) mutation to A: No effect. No activity; when associated with A-14.; mutation to K: Substantially reduced activity.
C128 (≠ A304) mutation to A: No effect.; mutation to Y: No activity.
D130 (= D306) mutation to A: No activity.; mutation to E: Substantially reduced activity.
C142 (= C318) mutation to A: No effect.
C172 (= C347) mutation to A: No zinc bound and no enzyme activity.
C175 (= C350) mutation to A: No zinc bound and no enzyme activity.
C187 (≠ T364) mutation to A: No effect.
C231 (≠ M408) mutation to A: No effect.
C244 (= C421) mutation to A: No zinc bound and almost no enzyme activity.
C247 (= C424) mutation to A: No zinc bound and almost no enzyme activity.

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)
39% identity, 57% coverage: 180:424/428 of query aligns to 61:318/482 of O59954

query
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O59954

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R

C

C

I

V

F

F

R

P

E

K

G

P

P

P

S

P

E

A

K

N

A

S

V

V

K

T

S

S

T

C

A

A

D

D

V

G

G

G

I

I

L

L

G

G

A

P

V

V

A

V

G
|
G

T

T

I

M

G

G

C

V

L

L

Q

Q

S

A

M

S

E

E

A

A

I

I

K

K

C

V

L

L

L

T

N

S

R

A

G

G

N

E

L

S

L

V

V

E

G

A

-

T

-

P

R

S

I

L

L

L

T

I

M

F

D

S

G

A

L

Y

S

S

M

S

-

P

S

Q

F

F

Q

R

E

T

V

I

E

K

I

L

-

R

C

S

R

R

D

R

P

P

E

N

C

C

P

A

D

V

C

C

G82 (= G201) mutation to D: In cnxF21ts and cnxF24ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.
G100 (= G219) mutation to S: In cnxF1285; impairs molybdopterin biosynthesis.
R130 (= R249) mutation to Q: In cnxF200; impairs molybdopterin biosynthesis.
C185 (≠ A304) mutation to Y: In cnxF472; impairs molybdopterin biosynthesis.
E215 (≠ V334) mutation to K: In cnxF119; impairs molybdopterin biosynthesis.
G264 (= G375) mutation to S: In cnxF142ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.

1jwbB Structure of the covalent acyl-adenylate form of the moeb-moad protein complex (see paper)
40% identity, 57% coverage: 180:425/428 of query aligns to 3:240/240 of 1jwbB

query
sites
1jwbB

L

L

T

S

A

D

E

Q

Q

E

L

M

K

L

R

R

Y

Y

H

N

R
|
R

N

Q

I

I

K

I

L

L

P

R

G

G

V

F

G

D

Q

F

E

D

G

G

Q

Q

I

E

K

A

L

L

L

K

N

D

S

S

S

R

V

V

L

L

V

I

V

V

G
|
G

A

L

G
|
G

L

L

G

G

S

C

P

A

V

A

S

S

L

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

I

V

G

G

R

N

L

L

G

T

L

L

A

L

D
|
D

E
x
F

D

D

S

T

V

V

D

S

L

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

T

V

L

H

H

A

S

T

D

G

A

D

T

I

V

G

G

R

Q

S

P

K
|
K

V

V

E

E

S

S

A

A

R

R

D

D

K

A

L

L

T

T

A

R

I

I

N

N

P

P

D

H

V

I

Q

A

I

I

E

T

I

P

Y

V

H

N

Q

A

R
x
L

I

L

T

D

A

D

D

A

N

E

V

L

D

A

Q

A

I

L

L

I

N

A

S

E

Y

H

D

D

L

L

V

V

V

L

D

D

A
x
C

T
|
T

D
|
D

N
|
N

L

V

E

A

S
x
V

R

R

Y

N

L

Q

L

L

N

N

K

A

A

G

C

C

I

F

E

A

A

A

K

K

K

V

P

P

F

L

I

V

Y

S

G

G

G

A

V

A

L

I

S

R

M

M

V

E

G

G

Q

Q

V

I

M

T

T

V

I

F

L

T

P

Y

G

Q

Q

D

G

G

-

E

P

P

C
|
C

F

Y

R

R

C

C

I

L

F

S

R

R

E

-

G

-

P

-

S

-

E

-

K

-

A

-

V

-

K

-

S

L

T

F

A

G

D

E

V

A

G

G

I

V

L

M

G

A

A

P

V

L

A

I

G

G

T

V

I

I

G

G

C

S

L

L

Q

Q

S

A

M

M

E

E

A

A

I

I

K

K

C

M

L

L

L

A

N

G

R

Y

G

G

N

K

L

P

L

A

V

S

G

G

R

K

I

I

L

V

T

M

M

Y

D

D

G

A

L

M

S

T

M

C

S

Q

F

F

Q

R

E

E

V

M

E

K

I

L

C

M

R

R

D

N

P

P

E

G

C
|
C

P

E

D

V

C
|
C

G

G

active site: R13 (= R190), D129 (= D306)
binding adenosine monophosphate: G37 (= G214), G39 (= G216), G40 (= G217), D61 (= D238), F62 (≠ E239), K85 (= K262), L108 (≠ R285), C127 (≠ A304), T128 (= T305), D129 (= D306), N130 (= N307), V133 (≠ S310)
binding zinc ion: C171 (= C347), C236 (= C421), C239 (= C424)

1jw9B Structure of the native moeb-moad protein complex (see paper)
40% identity, 57% coverage: 180:425/428 of query aligns to 3:240/240 of 1jw9B

query
sites
1jw9B

L

L

T

S

A

D

E

Q

Q

E

L

M

K

L

R

R

Y

Y

H

N

R
|
R

N

Q

I

I

K

I

L

L

P

R

G

G

V

F

G

D

Q

F

E

D

G

G

Q

Q

I

E

K

A

L

L

L

K

N

D

S

S

S

R

V

V

L

L

V

I

V

V

G

G

A

L

G

G

L

L

G

G

S

C

P

A

V

A

S

S

L

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

I

V

G

G

R

N

L

L

G

T

L

L

A

L

D

D

E

F

D

D

S

T

V

V

D

S

L

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

T

V

L

H

H

A

S

T

D

G

A

D

T

I

V

G

G

R

Q

S

P

K

K

V

V

E

E

S

S

A

A

R

R

D

D

K

A

L

L

T

T

A

R

I

I

N

N

P

P

D

H

V

I

Q

A

I

I

E

T

I

P

Y

V

H

N

Q

A

R

L

I

L

T

D

A

D

D

A

N

E

V

L

D

A

Q

A

I

L

L

I

N

A

S

E

Y

H

D

D

L

L

V

V

V

L

D

D

A

C

T

T

D
|
D

N

N

L

V

E

A

S

V

R

R

Y

N

L

Q

L

L

N

N

K

A

A

G

C

C

I

F

E

A

A

A

K

K

K

V

P

P

F

L

I

V

Y

S

G

G

G

A

V

A

L

I

S

R

M

M

V

E

G

G

Q

Q

V

I

M

T

T

V

I

F

L

T

P

Y

G

Q

Q

D

G

G

-

E

P

P

C
|
C

F

Y

R

R

C

C

I

L

F

S

R

R

E

-

G

-

P

-

S

-

E

-

K

-

A

-

V

-

K

-

S

L

T

F

A

G

D

E

V

A

G

G

I

V

L

M

G

A

A

P

V

L

A

I

G

G

T

V

I

I

G

G

C

S

L

L

Q

Q

S

A

M

M

E

E

A

A

I

I

K

K

C

M

L

L

L

A

N

G

R

Y

G

G

N

K

L

P

L

A

V

S

G

G

R

K

I

I

L

V

T

M

M

Y

D

D

G

A

L

M

S

T

M

C

S

Q

F

F

Q

R

E

E

V

M

E

K

I

L

C

M

R

R

D

N

P

P

E

G

C
|
C

P

E

D

V

C
|
C

G

G

active site: R13 (= R190), D129 (= D306)
binding zinc ion: C171 (= C347), C236 (= C421), C239 (= C424)

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)
38% identity, 61% coverage: 152:410/428 of query aligns to 20:285/460 of O95396

query
sites
O95396

D

E

L

L

N

N

K

S

I

L

E

K

Q

Q

-

K

-

L

-

A

V

S

A

A

D

L

F

L

I

A

E

E

D

Q

R

E

F

P

L

Q

K

P

Q

E

E

R

M

L

I

V

P

P

-

V

-

S

-

P

-

L

K

P

P

P

V

K

E

A

R

A

L

L

T

S

A

R

E

D

Q

E

L

I

K

L

R

R

Y

Y

H

S

R

R

N

Q

I

L

K

V

L

L

P

P

G

E

V

L

G

G

Q

V

E

H

G

G

Q

Q

I

L

K

R

L

L

L

G

N

T

S

A

S

C

V

V

L

L

V

I

V

V

G

G

A

C

G

G

L

L

G

G

S

C

P

P

V

L

S

A

L

Q

Y

Y

L

L

A

A

G

G

I

V

G

G

R

R

L

L

G

G

L

L

A

V

D

D

E

Y

D

D

S

V

V

V

D

E

L

M

S

S

N

N

L

L

Q

A

R

R

Q

Q

I

V

V

L

H

H

A

G

T

E

G

A

D

L

I

A

G

G

R

Q

S

A

K

K

V

A

E

F

S

S

A

A

R

A

D

A

K

S

L

L

T

R

A

R

I

L

N

N

P

S

D

A

V

V

Q

E

I

C

E

V

I

P

Y

Y

H
x
T

Q
|
Q

R
x
A

I
x
L

T
|
T

A
x
P

D
x
A

N
x
T

V
x
A

D
x
L

Q
x
D

I
x
L

L
x
V

N
x
R

S
x
R

Y
|
Y

D
|
D

L
x
V

V
|
V

V
x
A

D
|
D

A
x
C

T
x
S

D
|
D

N
|
N

L
x
V

E
x
P

S
x
T

R
|
R

Y
|
Y

L
|
L

L
x
V

N
|
N

K
x
D

A
|
A

C
|
C

I
x
V

E
x
L

A
|
A

K
x
G

K
x
R

P
|
P

F
x
L

I
x
V

Y
x
S

G
x
A

G
x
S

V
x
A

L
|
L

S
x
R

M
x
F

V
x
E

G
|
G

Q
|
Q

V
x
I

M
x
T

T
x
V

I
x
Y

L
x
H

P
x
Y

G
x
D

Q
x
G

G
|
G

P
|
P

C
|
C

F
x
Y

R
|
R

C
|
C

I
|
I

F
|
F

R
x
P

E
x
Q

G
x
P

P
|
P

S
x
P

E
x
A

K
x
E

A
x
T

V
|
V

K
x
T

S
x
N

T
x
C

A

A

D

D

V

G

G

G

I

V

L

L

G

G

A

V

V

V

A

T

G

G

T

V

I

L

G

G

C

C

L

L

Q

Q

S

A

M

L

E

E

A

V

I

L

K

K

C

I

L

A

N

G

R

L

G

G

N

P

L

S

L

Y

V

S

G

G

R

S

I

L

L

L

T

L

M

F

D

D

G

A

L

L

S

R

M

G

S

H

F

F

158:238 (vs. 283:363, 35% identical) Interaction with NFS1
C239 (≠ T364) 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.

1zfnA Structural analysis of escherichia coli thif (see paper)
40% identity, 56% coverage: 187:425/428 of query aligns to 8:244/244 of 1zfnA

query
sites
1zfnA

R

R

Y

Y

H

S

R
|
R

N

Q

I

I

K

L

L

L

P

D

G

D

V

I

G

A

Q

L

E

D

G

G

Q

Q

I

Q

K

K

L

L

N

D

S

S

S

Q

V

V

L

L

V

I

V
x
I

G
|
G

A

L

G
|
G

L

L

G

G

S

T

P

P

V

A

S

A

L

L

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

T

L

L

G

V

L

L

A

A

D
|
D

E

D

D

D

S

D

V

V

D

H

L

L

S

S

N

N

L

L

Q

Q

R
|
R

Q
|
Q

I

I

V

L

H

F

A

T

T

T

G

E

D

D

I

I

G

D

R

R

S

P

K
|
K

V

S

E

Q

S

V

A

S

R

Q

D

Q

K

R

L

L

T

T

A

Q

I

L

N

N

P

P

D

D

V

I

Q

Q

I

L

E

T

I

A

Y

L

H

Q

Q

Q

R

R

I

L

T

T

A

G

D

E

N

A

V

L

D

K

Q

D

I

A

L

V

N

A

S

R

Y

A

D

D

L

V

V

V

V

L

D

D

A

C

T
|
T

D
|
D

N

N

L

M

E

A

S
x
T

R

R

Y

Q

L

E

L

I

N

N

K

A

A

A

C

C

I

V

E

A

A

L

K

N

K

T

P

P

F

L

I

I

Y

T

G

A

G

S

V

A

L

V

S

G

M

F

V

G

G

G

Q

Q

V

L

M

M

T

V

I

L

L

T

-

P

P

P

G

W

Q

E

G

Q

P

G

C
|
C

F

Y

R

R

C
|
C

I

L

F

W

R

P

E

D

G

N

P

Q

S

E

-

P

E

E

K

R

A

N

V

C

K

R

S

T

T

A

A

G

D

V

V

V

G

G

I

P

L

V

G

V

A

G

V

V

A

M

G

G

T

T

I

-

G

-

C

-

L

L

Q

Q

S

A

M

L

E

E

A

A

I

I

K

K

C

-

L

L

N

S

R

G

G

I

N

E

L

T

L

P

V

A

G

G

R

E

I

L

L

R

T

L

M

F

D

D

G

G

L

K

S

S

M

S

S

Q

F

W

Q

R

E

S

V

L

E

A

I

L

C

R

R

R

D

A

P

S

E

G

C
|
C

P

P

D

V

C
|
C

G

G

active site: R11 (= R190), D127 (= D306)
binding adenosine-5'-triphosphate: I34 (≠ V213), G35 (= G214), G37 (= G216), G38 (= G217), D59 (= D238), R70 (= R249), Q71 (= Q250), K83 (= K262), T126 (= T305), D127 (= D306), T131 (≠ S310)
binding zinc ion: C169 (= C347), C172 (= C350), C240 (= C421), C243 (= C424)

P30138 Sulfur carrier protein ThiS adenylyltransferase; EC 2.7.7.73 from Escherichia coli (strain K12) (see 3 papers)
40% identity, 56% coverage: 187:425/428 of query aligns to 8:244/251 of P30138

query
sites
P30138

R

R

Y

Y

H

S

R

R

N

Q

I

I

K

L

L

L

P

D

G

D

V

I

G

A

Q

L

E

D

G

G

Q

Q

I

Q

K

K

L

L

N

D

S

S

S

Q

V

V

L

L

V

I

G

G

A

L

G

G

L

L

G

G

S

T

P

P

V

A

S

A

L

L

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

T

L

L

G

V

L

L

A

A

D

D

E

D

D

D

S

D

V

V

D

H

L

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

I

V

L

H

F

A

T

T

T

G

E

D

D

I

I

G

D

R

R

S

P

K

K

V

S

E

Q

S

V

A

S

R

Q

D

Q

K

R

L

L

T

T

A

Q

I

L

N

N

P

P

D

D

V

I

Q

Q

I

L

E

T

I

A

Y

L

H

Q

Q

Q

R

R

I

L

T

T

A

G

D

E

N

A

V

L

D

K

Q

D

I

A

L

V

N

A

S

R

Y

A

D

D

L

V

V

V

V

L

D

D

A

C

T

T

D

D

N

N

L

M

E

A

S

T

R

R

Y

Q

L

E

L

I

N

N

K

A

A

A

C

C

I

V

E

A

A

L

K

N

K

T

P

P

F

L

I

I

Y

T

G

A

G

S

V

A

L

V

S

G

M

F

V

G

G

G

Q

Q

V

L

M

M

T

V

I

L

L

T

-

P

P

P

G

W

Q

E

G

Q

P

G

C
|
C

F

Y

R

R

C
|
C

I

L

F
x
W

R

P

E

D

G

N

P

Q

S

E

-

P

E

E

K

R

A

N

V
x
C

K

R

S

T

T

A

A

G

D

V

V

V

G

G

I

P

L

V

G

V

A

G

V

V

A

M

G

G

T

T

I

-

G

-

C

-

L

L

Q

Q

S

A

M

L

E

E

A

A

I

I

K

K

C

-

L

L

N

S

R

G

G

I

N

E

L

T

L

P

V

A

G

G

R

E

I

L

L

R

T

L

M

F

D

D

G

G

L

K

S

S

M

S

S

Q

F

W

Q

R

E

S

V

L

E

A

I

L

C

R

R

R

D

A

P

S

E

G

C
|
C

P

P

D

V

C
|
C

G

G

C169 (= C347) binding Zn(2+)
C172 (= C350) binding Zn(2+)
W174 (≠ F352) mutation to A: No adenylation of ThiS.
C184 (≠ V361) mutation to S: No cross-link formed with ThiS. No effect on ThiS thiocarboxylate formation in vitro. Does not support growth.
C240 (= C421) binding Zn(2+)
C243 (= C424) binding Zn(2+)

1zud3 Structure of this-thif protein complex (see paper)
39% identity, 56% coverage: 187:425/428 of query aligns to 8:239/240 of 1zud3

query
sites
1zud3

R

R

Y

Y

H

S

R
|
R

N

Q

I

I

K
x
L

L

L

P
x
D

G

D

V

I

G

A

Q

L

E

D

G

G

Q

Q

I

Q

K

K

L

L

N

D

S

S

S

Q

V

V

L

L

V

I

G

G

A

L

G

G

L

L

G

G

S

T

P

P

V

A

S

A

L

L

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

T

L

L

G

V

L

L

A

A

D

D

E

D

D

D

S

D

V

V

D

H

L

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

I

V

L

H

F

A

T

T

T

G

E

D

D

I

I

G

D

R

R

S

P

K

K

V

S

E

Q

S

V

A

S

R

Q

D

Q

K

R

L

L

T

T

A

Q

I

L

N

N

P

P

D

D

V

I

Q

Q

I

L

E

T

I

A

Y

L

H

Q

Q

Q

R

R

I

L

T

T

A

G

D

E

N

A

V

L

D

K

Q

D

I

A

L

V

N

A

S

R

Y

A

D

D

L

V

V

V

V

L

D

D

A

C

T

T

D
|
D

N

N

L

M

E

A

S

T

R

R

Y

Q

L

E

L

I

N

N

K

A

A

A

C

C

I

V

E

A

A

L

K

N

K

T

P

P

F

L

I

I

Y

T

G

A

G

S

V

A

L

V

S

G

M

F

V

G

G

G

Q

Q

V

L

M

M

T

V

I

L

L

T

-

P

P

P

G

W

Q

E

G

Q

P

G

C
|
C

F

Y

R

R

C

C

I

L

F

W

R

P

E

D

G

N

P

Q

S

E

E

P

K

T

A

A

V

G

K

V

S

V

T

G

A

-

D

-

V

-

G

-

I

-

L

-

G

-

A

P

V

V

A

V

G

G

T

V

I

M

G

G

C

T

L

L

Q

Q

S

A

M

L

E

E

A

A

I

I

K

K

C

-

L

L

N

S

R

G

G

I

N

E

L

T

L

P

V

A

G

G

R

E

I

L

L

R

T

L

M

F

D

D

G

G

L

K

S

S

M

S

S

Q

F

W

Q

R

E

S

V

L

E

A

I

L

C

R

R

R

D

A

P

S

E

G

C
|
C

P

P

D

V

C
|
C

G

G

active site: R11 (= R190), D127 (= D306)
binding calcium ion: L14 (≠ K193), D16 (≠ P195)
binding zinc ion: C169 (= C347), C235 (= C421), C238 (= C424)

6yubA Crystal structure of uba4 from chaetomium thermophilum (see paper)
39% identity, 50% coverage: 178:392/428 of query aligns to 4:216/423 of 6yubA

query
sites
6yubA

E

K

R

S

L

L

T

S

A

K

E

E

Q

E

L

I

K

E

R

R

Y

Y

H

S

R

R

N

Q

I

M

K

I

L

V

P

P

G

G

V

M

G

G

Q

K

E

E

G

G

Q

Q

I

L

K

R

L

L

L

M

N

N

S

A

S

K

V

V

L

L

V

I

G

G

A

A

G

G

L

L

G

G

S

C

P

P

V

A

S

A

L

Q

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

T

L

I

G

G

L

I

A

V

D

D

E

G

D

D

S

S

V

V

D

E

L

T

S

S

N

N

L

L

Q

H

R

R

Q

Q

I

V

V

A

H

H

A

A

T

T

G

K

D

R

I

V

G

G

R

M

S

L

K

K

V

V

E

D

S

S

A

L

R

I

D

T

K

H

L

L

T

I

A

E

I

I

N

N

P

P

D

L

V

P

Q

V

I

Y

E

V

I

P

Y

Y

H

R

Q

F

R

D

I

L

T

T

A

P

D

Q

N

N

V

A

D

A

Q

Q

I

I

L

I

N

K

S

P

Y

W

D

D

L

V

V

I

V

L

D

D

A

C

T

T

D

D

N

N

L

P

E

A

S

T

R

R

Y

Y

L

L

L

I

N

S

K

D

A

V

C

C

I

V

E

L

A

L

K

G

K

K

P

P

F

L

I

V

Y

S

G

A

V

S

L

V

S

Q

M

K

V

S

G

G

Q

Q

-

L

-

I

V

V

M

L

T

N

I

C

L

P

P

P

G

T

-

P

Q

Q

G

G

-

V

-

N

-

K

-

A

P

P

C
|
C

F

Y

R

R

C
|
C

I

C

F

F

R

K

E

K

G

-

P

-

S

-

E

-

K

-

A

-

V

-

K

-

S

-

T

-

A

-

D

-

V

P

G

G

I

I

L

M

G

G

A

P

V

V

A

V

G

G

T

M

I

M

G

G

C

V

L

A

Q

Q

S

A

M

G

E

E

A

A

I

I

K

K

C

I

L

L

L

V

N

S

R

Q

binding zinc ion: C183 (= C347), C186 (= C350)

Sites not aligning to the query:

binding zinc ion: 266, 269

6yubB Crystal structure of uba4 from chaetomium thermophilum (see paper)
39% identity, 50% coverage: 178:392/428 of query aligns to 5:215/289 of 6yubB

query
sites
6yubB

E

K

R

S

L

L

T

S

A

K

E

E

Q

E

L

I

K

E

R

R

Y

Y

H

S

R

R

N

Q

I

M

K

I

L

V

P

P

G

G

V

M

G

G

Q

K

E

E

G

G

Q

Q

I

L

K

R

L

L

L

M

N

N

S

A

S

K

V

V

L

L

V

I

G

G

A

A

G

G

L

L

G

G

S

C

P

P

V

A

S

A

L

Q

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

T

L

I

G

G

L

I

A

V

D

D

E

G

D

D

S

S

V

V

D

E

L

T

S

S

N

N

L

L

Q

H

R

R

Q

Q

I

V

V

A

H

H

A

A

T

T

G

K

D

R

I

V

G

G

R

M

S

L

K

K

V

V

E

D

S

S

A

L

R

I

D

T

K

H

L

L

T

I

A

E

I

I

N

N

P

P

D

L

V

P

Q

V

I

Y

E

V

I

P

Y

Y

H

R

Q

F

R

D

I

L

T

T

A

P

D

Q

N

N

V

A

D

A

Q

Q

I

I

L

I

N

K

S

P

Y

W

D

D

L

V

V

I

V

L

D

D

A

C

T

T

D

D

N

N

L

P

E

A

S

T

R

R

Y

Y

L

L

L

I

N

S

K

D

A

V

C

C

I

V

E

L

A

L

K

G

K

K

P

P

F

L

I

V

Y

S

G

A

V

S

L

V

S

Q

M

K

V

S

G

G

Q

Q

-

L

-

I

V

V

M

L

T

N

I

C

L

P

P

P

G

T

-

P

Q

Q

G

G

-

V

-

N

-

K

-

A

P

P

C
|
C

F

Y

R

R

C
|
C

I

C

F

F

R

K

E

-

G

-

P

-

S

-

E

-

K

-

A

-

V

-

K

-

S

-

T

-

A

-

D

-

V

-

G

G

I

I

L

M

G

G

A

P

V

V

A

V

G

G

T

M

I

M

G

G

C

V

L

A

Q

Q

S

A

M

G

E

E

A

A

I

I

K

K

C

I

L

L

L

V

N

S

R

Q

binding zinc ion: C184 (= C347), C187 (= C350)

Sites not aligning to the query:

binding zinc ion: 265

1jwaB Structure of the atp-bound moeb-moad protein complex (see paper)
38% identity, 56% coverage: 180:417/428 of query aligns to 3:217/217 of 1jwaB

query
sites
1jwaB

L

L

T

S

A

D

E

Q

Q

E

L

M

K

L

R

R

Y

Y

H

N

R
|
R

N

Q

I

I

K

I

L

L

P

R

G

G

V

F

G

D

Q

F

E

D

G

G

Q

Q

I

E

K

A

L

L

L

K

N

D

S

S

S

R

V

V

L

L

V

I

V

V

G

G

A

L

G
|
G

L

L

G

G

S

C

P

A

V

A

S

S

L

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

I

V

G

G

R

N

L

L

G

T

L

L

A

L

D
|
D

E
x
F

D

D

S

T

V

V

D

S

L

L

S

S

N

N

L

L

Q

Q

R
|
R

Q

Q

I

T

V

L

H

H

A

S

T

D

G

A

D

T

I

V

G

G

R

Q

S

P

K
|
K

V

V

E

E

S

S

A

A

R

R

D

D

K

A

L

L

T

T

A

R

I

I

N

N

P

P

D

H

V

I

Q

A

I

I

E

T

I

P

Y

V

H

N

Q

A

R
x
L

I

L

T

D

A

D

D

A

N

E

V

L

D

A

Q

A

I

L

L

I

N

A

S

E

Y

H

D

D

L

L

V

V

V

L

D

D

A

C

T

T

D
|
D

N
|
N

L

V

E

A

S
x
V

R

R

Y

N

L

Q

L

L

N

N

K

A

A

G

C

C

I

F

E

A

A

A

K

K

K

V

P

P

F

L

I

V

Y

S

G

G

G

A

V

A

L

I

S

R

M

M

V

E

G

G

Q

Q

V

I

M

T

T

V

I

F

L

-

P

-

G

-

Q

-

G

-

P

-

C

-

F

-

R

-

C

-

I

-

F

-

R

-

E

-

G

-

P

-

S

-

E

-

K

-

A

-

V

-

K

-

S

-

T

T

A

Y

D

E

V

A

G

G

I

V

L

M

G

A

A

P

V

L

A

I

G

G

T

V

I

I

G

G

C

S

L

L

Q

Q

S

A

M

M

E

E

A

A

I

I

K

K

C

M

L

L

L

A

N

G

R

Y

G

G

N

K

L

P

L

A

V

S

G

G

R

K

I

I

L

V

T

M

M

Y

D

D

G

A

L

M

S

T

M

C

S

Q

F

F

Q

R

E

E

V

M

E

K

I

L

C

M

R

R

active site: R13 (= R190), D129 (= D306)
binding adenosine-5'-triphosphate: G39 (= G216), G40 (= G217), D61 (= D238), F62 (≠ E239), R72 (= R249), K85 (= K262), L108 (≠ R285), D129 (= D306), N130 (= N307), V133 (≠ S310)

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)
37% identity, 49% coverage: 180:390/428 of query aligns to 39:251/440 of P38820

query
sites
P38820

L

L

T

S

A

L

E

E

Q

E

L

Y

K

Q

R

R

Y

Y

H

G

R

R

N

Q

I

M

K

I

L

V

P

E

G

E

V

T

G

G

Q

G

-

V

E

A

G

G

Q

Q

I

V

K

K

L

L

L

K

N

N

S

T

S

K

V

V

L

L

V

V

G

G

A

A

G

G

L

L

G

G

S

C

P

P

V

A

S

L

L

P

Y

Y

L

L

A

A

A

G

A

A

G

G

I

V

G

G

R

Q

L

I

G

G

L

I

A

V

D

D

E

N

D

D

S

V

V

V

D

E

L

T

S

S

N

N

L

L

Q

H

R

R

Q

Q

I

V

V

L

H

H

A

D

T

S

G

S

D

R

I

V

G

G

R

M

S

L

K

K

V

C

E

E

S

S

A

A

R

R

D

Q

K

Y

L

I

T

T

A

K

I

L

N

N

P

P

D

H

V

I

Q

N

I

V

E

V

I

T

Y

Y

H

P

Q

V

R

R

I

L

T

N

A

S

D

S

N

N

V

A

D

F

Q

D

I

I

L

F

N

K

S

G

Y

Y

D

N

L

Y

V

I

V

L

D

D

A

C

T

T

D

D

N

S

L

P

E

L

S

T

R

R

Y

Y

L

L

L

V

N

S

K

D

A

V

C

A

I

V

E

N

A

L

K

G

K

I

P

T

F

V

I

V

Y

S

G

A

G

S

V

G

L

L

S

G

M

T

V

E

G

G

Q

Q

V

-

M

L

T

T

I

I

L

L

P

N

G

F

Q

N

-

N

-

I

G

G

P

P

C

C

F

Y

R

R

C

C

I

F

F

Y

R

P

E

T

G

P

P

P

S

P

E

P

K

N

A

A

V

V

K

T

S

S

T
x
C

A

Q

D

E

V

G

G

G

I

V

L

I

G

G

A

P

V

C

A

I

G

G

T

L

I

V

G

G

C

T

L

M

Q

M

S

A

M

V

E

E

A

T

I

L

K

K

C

L

L

I

L

L

C225 (≠ T364) 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.

O42939 Ubiquitin-activating enzyme E1-like; Pmt3-activating enzyme subunit 2 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
35% identity, 35% coverage: 208:356/428 of query aligns to 26:175/628 of O42939

query
sites
O42939

S

A

S

K

V

V

L

L

V

L

V

V

G

G

A

A

G

G

L

I

G

G

S

C

P

E

V

L

S

L

L

K

Y

N

L

L

A

L

A

M

A

S

G

G

I

V

G

K

R

E

L

V

G

H

L

I

A

I

D

D

E

L

D

D

S

T

V

I

D

D

L

L

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

V

L

H

F

A

R

T

K

G

K

D

H

I

V

G

K

R

Q

S

P

K

K

V

A

E

I

S

V

A

A

R

A

D

K

K

T

L

A

T

S

A

S

I

F

N

N

P

P

D

N

V

V

Q

K

I

L

E

E

I

A

Y

Y

H

H

Q

A

R

N

I

I

T

K

A

E

D

D

N

R

V

F

D

N

-

V

Q

A

I

W

L

F

N

R

S

Q

Y

F

D

D

L

L

V

V

V

F

D

N

A

A

T

L

D

D

N

N

L

L

E

D

S

A

R

R

Y

R

L

H

L

V

N

N

K

K

A

Q

C

C

I

L

E

L

A

A

K

S

K

V

P

P

F

L

I

I

Y

E

G

S

G

G

V

T

L

T

S

G

M

F

V

L

G

G

Q

Q

V

V

M

Q

T

V

I

I

L

I

P

H

G

G

Q

K

G

T

P

E

C

C

F

Y

R

D

C

C

I

N

F

P

R

K

E

E

G

P

P

P

Sites not aligning to the query:

559 modified: Phosphoserine
563 modified: Phosphoserine

6xoiB Structure of sumo1-ml00752641 adduct bound to sae (see paper)
35% identity, 35% coverage: 210:358/428 of query aligns to 13:167/403 of 6xoiB

query
sites
6xoiB

V

V

L

L

V

V

G

G

A

A

G

G

G
|
G

L

I

G

G

S

C

P

E

V

L

S

L

L

K

Y

N

L

L

A

V

A

L

A

T

G

G

I

F

G

S

R

H

L

I

G

D

L

L

A

I

D
|
D

E
x
L

D

D

S

T

V

I

D

D

L

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

V

L

H

F

A

Q

T

K

G

K

D

H

I

V

G

G

R

R

S

S

K
|
K

V

A

E

Q

S

V

A

A

R

K

D

E

K

S

L

V

T

L

A

Q

I

F

N

Y

P

P

D

K

V

A

Q

N

I

I

E

V

I

A

Y

Y

H

H

Q

D

R
x
S

I
|
I

T

M

A

N

D

P

N

D

V

Y

D

N

-

V

Q

E

I

F

L

F

N

R

S

Q

Y

F

D

I

L

L

V

V

V

M

D

N

A
|
A

T
x
L

D
|
D

N
|
N

L

R

E

A

S

A

R

R

Y

N

L

H

L

V

N

N

K

R

A

M

C

C

I

L

E

A

A

A

K

D

K

V

P

P

F

L

I

I

Y

E

G

S

G

G

V

T

L

A

S

G

M

Y

V

L

G

G

Q

Q

V

V

M

T

T

T

I

I

L

K

P

K

G

G

Q

V

G

T

P

E

C
|
C

F

Y

R

E

C
|
C

I

H

F

F

-

P

-

G

-
x
C

-
x
T

-

I

R
|
R

E

N

G

T

P

P

S

S

E

E

active site: D110 (= D306), C159 (vs. gap), T160 (vs. gap), R162 (= R353)
binding [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate: G20 (= G217), D41 (= D238), L42 (≠ E239), K65 (= K262), S88 (≠ R285), I89 (= I286), A108 (= A304), L109 (≠ T305), D110 (= D306), N111 (= N307)
binding zinc ion: C151 (= C347), C154 (= C350)

Sites not aligning to the query:

binding zinc ion: 353, 356

6xogB Structure of sumo1-ml786519 adduct bound to sae (see paper)
34% identity, 35% coverage: 210:358/428 of query aligns to 13:171/500 of 6xogB

query
sites
6xogB

V

V

L

L

V

V

G

G

A

A

G

G

L

I

G

G

S

C

P

E

V

L

S

L

L

K

Y

N

L

L

A

V

A

L

A

T

G

G

I

F

G

S

R

H

L

I

G

D

L

L

A

I

D
|
D

E
x
L

D

D

S

T

V

I

D

D

L

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

V

L

H

F

A

Q

T

K

G

K

D

H

I

V

G

G

R

R

S

S

K
|
K

V

A

E

Q

S

V

A

A

R

K

D

E

K

S

L

V

T

L

A

Q

I

F

N

Y

P

P

D

K

V

A

Q

N

I

I

E

V

I

A

Y

Y

H

H

Q

D

R
x
S

I
|
I

T
x
M

A

N

D

P

N

D

V

Y

D

N

-

V

Q

E

I

F

L

F

N

R

S

Q

Y

F

D

I

L

L

V

V

V

M

D

N

A
|
A

T

L

D
|
D

N
|
N

L

R

E

A

S

A

R

R

Y

N

L

H

L

V

N

N

K

R

A

M

C

C

I

L

E

A

A

A

K

D

K

V

P

P

F

L

I

I

Y

E

G

S

G

G

V

T

L

A

S

G

M

Y

V

L

G

G

Q

Q

V

V

M

T

T

T

I

I

L

K

P

K

G

G

Q

V

G

T

P

E

C
|
C

F

Y

R

E

-
x
C

-

H

-

P

-

K

-

P

-

T

-

F

-

P

-

G

C
|
C

I
x
T

F

I

R
|
R

E

N

G

T

P

P

S

S

E

E

active site: D110 (= D306), C163 (= C350), T164 (≠ I351), R166 (= R353)
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 (= D238), L42 (≠ E239), K65 (= K262), S88 (≠ R285), I89 (= I286), M90 (≠ T287), A108 (= A304), D110 (= D306), N111 (= N307)
binding zinc ion: C151 (= C347), C154 (vs. gap)

Sites not aligning to the query:

binding zinc ion: 398, 401

6xohB Structure of sumo1-ml00789344 adduct bound to sae (see paper)
34% identity, 35% coverage: 210:358/428 of query aligns to 15:173/490 of 6xohB

query
sites
6xohB

V

V

L

L

V

V

G

G

A

A

G

G

L

I

G

G

S

C

P

E

V

L

S

L

L

K

Y

N

L

L

A

V

A

L

A

T

G

G

I

F

G

S

R

H

L

I

G

D

L

L

A

I

D
|
D

E
x
L

D

D

S

T

V

I

D

D

L

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

V

L

H

F

A

Q

T

K

G

K

D

H

I

V

G

G

R

R

S

S

K
|
K

V

A

E

Q

S

V

A

A

R

K

D

E

K

S

L

V

T

L

A

Q

I

F

N

Y

P

P

D

K

V

A

Q

N

I

I

E

V

I

A

Y

Y

H

H

Q

D

R
x
S

I
|
I

T
x
M

A

N

D

P

N

D

V

Y

D

N

-

V

Q

E

I

F

L

F

N

R

S

Q

Y

F

D

I

L

L

V

V

V

M

D

N

A

A

T
x
L

D
|
D

N
|
N

L

R

E

A

S

A

R

R

Y

N

L

H

L

V

N

N

K

R

A

M

C

C

I

L

E

A

A

A

K

D

K

V

P

P

F

L

I

I

Y

E

G

S

G

G

V

T

L

A

S

G

M

Y

V

L

G

G

Q

Q

V

V

M

T

T

T

I

I

L

K

P

K

G

G

Q

V

G

T

P

E

C
|
C

F

Y

R

E

-
x
C

-

H

-

P

-

K

-

R

-

T

-

F

-

P

-

G

C
|
C

I
x
T

F

I

R
|
R

E

N

G

T

P

P

S

S

E

E

active site: D112 (= D306), C165 (= C350), T166 (≠ I351), R168 (= R353)
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 (= D238), L44 (≠ E239), K67 (= K262), S90 (≠ R285), I91 (= I286), M92 (≠ T287), L111 (≠ T305), D112 (= D306), N113 (= N307)
binding zinc ion: C153 (= C347), C156 (vs. gap)

Sites not aligning to the query:

binding zinc ion: 391, 394

3kydB Human sumo e1~sumo1-amp tetrahedral intermediate mimic (see paper)
35% identity, 33% coverage: 210:350/428 of query aligns to 17:158/477 of 3kydB

query
sites
3kydB

V

V

L

L

V

V

G

G

A

A

G

G

L
x
I

G

G

S

C

P

E

V

L

S

L

L

K

Y

N

L

L

A

V

A

L

A

T

G

G

I

F

G

S

R

H

L

I

G

D

L

L

A

I

D
|
D

E
x
L

D

D

S

T

V

I

D

D

L

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

V

L

H

F

A

Q

T

K

G

K

D

H

I

V

G

G

R

R

S

S

K
|
K

V

A

E

Q

S

V

A

A

R

K

D

E

K

S

L

V

T

L

A

Q

I

F

N

Y

P

P

D

K

V

A

Q

N

I

I

E

V

I

A

Y

Y

H

H

Q

D

R
x
S

I
|
I

T

M

A

N

D

P