SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011607102.1 NCBI__GCF_000058485.1:WP_011607102.1 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)
42% identity, 97% coverage: 13:390/390 of query aligns to 64:453/453 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)
56% identity, 67% coverage: 14:275/390 of query aligns to 4:270/271 of Q72J02

query
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Q72J02

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C192 (= C197) modified: Glycyl cysteine thioester (Cys-Gly) (interchain with G-Cter in TtuB); mutation to S: Not able to form a thioester complex with TtuB.
C268 (= C273) mutation to S: Still able to form a thioester complex with TtuB.

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)
39% identity, 98% coverage: 9:390/390 of query aligns to 51:460/460 of O95396

query
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O95396

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158:238 (vs. 116:196, 46% identical) Interaction with NFS1
C239 (= C197) mutation to A: Impairs sulfurtransferase activity.
C316 (= C273) modified: Disulfide link with 324; mutation to A: Does not affect sulfurtransferase activity.
C324 (vs. gap) modified: Disulfide link with 316; mutation to A: Does not affect sulfurtransferase activity.
C365 (≠ V318) mutation to A: Does not affect sulfurtransferase activity.
C412 (= C348) active site, Cysteine persulfide intermediate; for sulfurtransferase activity; modified: Cysteine persulfide; mutation to A: Abolishes sulfurtransferase activity.
K413 (= K349) mutation to R: Does not affect sulfurtransferase specificity and activity.
L414 (≠ S350) mutation to K: Does not affect sulfurtransferase specificity and activity.
G415 (= G351) mutation to A: Does not affect sulfurtransferase specificity and activity.
N416 (≠ V352) mutation to V: Does not affect sulfurtransferase specificity and activity.
D417 (≠ R353) mutation to R: Results in 470-fold increased activity.; mutation to T: Results in 90-fold increased activity.
P458 (= P388) mutation to G: Does not affect sulfurtransferase specificity and activity.
Y460 (= Y390) mutation to A: Does not affect sulfurtransferase specificity and activity.

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)
39% identity, 97% coverage: 13:390/390 of query aligns to 39:440/440 of P38820

query
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P38820

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T

V

R

R

L

L

D

N

T

S

S

S

N

N

V

A

M

F

E

D

I

I

F

F

S

K

Q

G

Y

Y

D

N

L

Y

I

I

V

L

D

D

G

C

T

T

D

D

N

S

F

P

A

L

T

T

R

R

Y

Y

L

L

V

V

N

S

D

D

A

V

A

A

V

V

L

N

L

L

G

G

K

I

P

T

Y

V

V

V

W

S

G

A

S

S

I

G

Y

L

R

G

F

T

D

E

G

G

Q

Q

A

L

S

T

V

I

F

L

-

N

W

F

A

N

D

N

H

I

G

G

P

P

C

C

Y

Y

R

R

C

C

L

F

Y

Y

P

P

E

T

P

P

G

N

M

A

V

V

P

T

S

S

C
|
C

A

Q

E

E

G

G

V

V

L

I

G

G

V

P

L

C

C

I

A

G

S

L

I

V

A

G

S

T

I

M

Q

M

T

A

T

V

E

E

A

T

I

L

K

K

L

L

L

I

T

L

G

G

I

I

-

Y

-

T

G

N

D

E

P

N

L

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V

S

G

P

R

F

L

L

M

M

V

L

Y

Y

D

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A

G

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-

P

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Q

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Y

L

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R

A

T

I

F

K

K

V

M

R

R

-

G

K

R

D

Q

P

E

E

K

C

C

P

L

L

C

C

C

G

G

K

K

N

N

P

R

T

T

I

I

T

T

E

K

-

E

-

A

-

I

-

E

-

K

-

G

L

E

I

I

D

N

Y

Y

E

E

A

L

F

F

C

C

G

G

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-

S

A

E

R

E

N

A

Y

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N

L

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A

C

A

E

A

P

G

D

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I

I

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A

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E

A

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W

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D

K

A

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D

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F

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E

A

-

K

-

H

-

I

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F

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L

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V

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P

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A

H

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W

Y

E

E

I

I

V

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H

I

F

P

P

G

E

A

A

R

V

L

N

I

I

P

P

-

I

-

K

-

N

-

L

-

R

-

D

-

M

K

N

G

G

D

D

L

L

P

K

A

K

H

L

L

Q

A

E

E

K

L

L

P

P

-

S

-

V

-

E

Q

K

D

D

R

S

R

N

V

I

V

V

V

I

Y

L

C
|
C

K

R

S

Y

G

G

V

N

R

D

S

S

A

Q

E

L

A

A

L

T

A

R

T

L

L

L

K

K

G

D

A

K

-

F

G

G

F

F

S

S

S

N

A

V

V

R

H

D

V

V

Q

R

G

G

V

Y

T

F

A

K

W

Y

A

I

T

D

Q

D

V

I

D

D

K

Q

S

T

L

I

P

P

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Y

Y

C225 (= C197) mutation C->A,S: Abolishes adenylyltransferase activity but not sulfurtransferase activity.
C397 (= C348) mutation C->A,S: Abolishes sulfurtransferase activity but not adenylyltransferase 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)
37% identity, 96% coverage: 16:390/390 of query aligns to 64:482/482 of O59954

query
sites
O59954

D

E

E

E

V

Y

R

R

Y

Y

S

G

R

R

H

Q

L

M

I

I

I

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P

D

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F

A

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G
|
G

Q

Q

K

L

R

K

L

L

K

R

N

D

A

A

R

K

V

V

L

L

A

I

V

V

G

G

A

A

G

G

L

L

G
|
G

S

C

P

P

T

A

L

A

M

L

Y

Y

L

L

A

A

A

G

A

A

G

G

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V

G

G

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T

L

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G

G

I

L

V

V

E

D

F

G

D

D

T

T

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V

D

E

E

A

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S

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N

L

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|
R

Q

Q

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I

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H

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R

Q

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S

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N

V

V

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G

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L

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K

A

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E

D

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S

A

A

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N

E

I

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P

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Y

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A

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N

E

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A

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I

F

F

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K

Q

D

Y

Y

D

D

L

L

I

I

V

L

D

D

G
x
C

T

T

D

D

N

N

F

P

A

A

T

T

R

R

Y

Y

L

L

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I

N

S

D

D

A

T

A

A

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V

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L

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G

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K

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Y

L

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R

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T

D
x
E

G

G

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A

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M

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N

-

N

-

P

-

Q

-

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-

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-

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A

A

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D

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x
G

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A

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Q

T

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E

E

A

A

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T

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A

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-

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A

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I

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A

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L

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-

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Y

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A

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A

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M

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-

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T

-

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A

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-

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A

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L

L

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K

G

E

A

L

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F

L

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D

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H

A

G

-

G

-

E

-

R

-

P

-

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V

V

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D

V

I

Q

K

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G

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T

R

A

S

W

W

A

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T

E

Q

Q

V

V

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D

K

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S

D

L

W

P

P

V

D

Y

Y

G82 (= G34) mutation to D: In cnxF21ts and cnxF24ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.
G100 (= G52) mutation to S: In cnxF1285; impairs molybdopterin biosynthesis.
R130 (= R82) mutation to Q: In cnxF200; impairs molybdopterin biosynthesis.
C185 (≠ G137) mutation to Y: In cnxF472; impairs molybdopterin biosynthesis.
E215 (≠ D167) mutation to K: In cnxF119; impairs molybdopterin biosynthesis.
G264 (≠ A208) mutation to S: In cnxF142ts; temperature-sensitive mutant. Impairs molybdopterin biosynthesis.

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)
51% identity, 67% coverage: 13:275/390 of query aligns to 5:267/270 of D4GSF3

query
sites
D4GSF3

L

L

T

D

V

A

D

T

E

Q

V

L

R

D

R

R

Y

Y

S

S

R

R

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H

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I

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D

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V

A

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M

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G

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Q

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G

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R

L

L

K

L

N

S

A

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R

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V

L

V

A

V

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G

G

A

A

G

G

L

L

G

G

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A

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T

A

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Y

Y

L

L

A

A

A

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G

G

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V

G

G

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E

L

L

G

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I

V

V

V

E

D

F

D

D

D

T

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V

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D

E

E

R

S

S

N

N

L

L

Q

Q

R

R

Q

Q

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H

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C

Q

D

S

D

D

D

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G

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K

K

A

A

E

E

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S

A

A

R

A

D

A

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F

V

V

L

R

N

G

I

L

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N

P

P

Y

D

V

V

N

S

V

V

V

E

L

P

H

V

E

E

T

A

R

R

L

V

D

D

T

K

S

S

N

N

V

V

M

H

E

E

I

V

F

V

S

A

Q

G

Y

S

D

D

L

V

I

V

V

V

D

D

G

A

T

S

D

D

N

N

F

F

A

P

T

T

R

R

Y

Y

L

L

V

L

N

N

D

D

A

V

A

C

V

R

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F

L

E

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I

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L

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G

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Q

A

A

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T

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L

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V

A

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D

D

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-

G

G

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C

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R

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C

L

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E

E

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A

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E

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G

G

M

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S

D

C
|
C

A

A

E

T

G

T

G

G

V

V

L

L

G

G

V

V

L

L

C

P

A

G

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I

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A

G

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C

I

I

Q

Q

T

A

T

T

E

E

A

A

I

M

K

K

L

L

T

L

G

D

I

E

G

G

D

E

P

A

L

L

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D

G

G

R

R

L

L

M

L

V

F

Y

Y

D

D

A

A

L

M

E

D

M

M

T

T

Y

F

R

E

A

T

I

V

K

P

V

Y

R

R

K

T

D

N

P

P

E

D

C

C

P

P

L

V

C

C

G

G

K

E

N

G

P

G

T

V

I

D

T

S

-

I

E

E

L

D

I

I

D

D

Y

Y

E

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A

E

F

S

C

C

G

A

V

I

C188 (= C197) 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, 63% coverage: 13:259/390 of query aligns to 4:249/249 of P12282

query
sites
P12282

L

L

T

S

V

D

D

Q

E

E

V

M

R

L

R

R

Y

Y

S

N

R
|
R

H

Q

L

I

I

I

I

L

P

R

D

G

V

F

A

D

M

F

D

D

G

G

Q

Q

K

E

R

A

L

L

K

K

N

D

A

S

R

R

V

V

L

L

A

I

V

V

G

G

A

L

G

G

L

L

G

G

S
x
C

P

A

T

A

L

S

M

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

V

V

G

G

T

N

L

L

G

T

I

L

V

L

E

D

F

F

D

D

T

T

V

V

D

S

E

L

S

S

N

N

L

L

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Q

R
|
R

Q

Q

I

T

I

L

H

H

G

S

Q

D

S

A

D

T

V

V

G

G

R

Q

S

P

K

K

A

V

E

E

S

S

A

A

R

R

D

D

S

A

V

L

L

T

N

R

I

I

N

N

P

P

Y

H

V

I

N

A

V

I

V

T

L

P

H

V

E

N

T

A

R

L

L

L

D

D

T

D

S

A

N

E

V

L

M

A

E

A

I

L

F

I

S

A

Q

E

Y

H

D

D

L

L

I

V

V

L

D

D

G
x
C

T

T

D
|
D

N

N

F

V

A

A

T

V

R

R

Y

N

L

Q

V

L

N

N

D

A

A

G

A
x
C

V

F

L

A

G

K

K

V

P

P

Y

L

V

V

W

S

G

G

S

A

I

A

Y

I

R

R

F

M

D

E

G

G

Q

Q

A

I

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T

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V

F

F

-

T

W

Y

A

Q

D

D

H

G

G

E

P

P

C
|
C

Y

Y

R

R

C
|
C

L

L

Y

S

P

R

E

L

P

F

P

G

P

E

P

N

G

A

M

L

V

-

P

-

S

T

C
|
C

A

V

E

E

G

A

G

G

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V

L

M

G

A

V

P

L

L

C

I

A

G

S

V

I

I

A

G

S

S

I

L

Q

Q

T

A

T

M

E

E

A

A

I

I

K

K

L

M

L

L

T

A

G

G

I

Y

G

G

D

K

P

P

L

A

V

S

G

G

R

K

L

I

M

V

V

M

Y

Y

D

D

A

A

L

M

E

T

M
x
C

T

Q

Y

F

R

R

A

E

I

M

K

K

V

L

R

M

K

R

D

N

P

P

E

G

C
|
C

P

E

L

V

C
|
C

G

G

K

Q

R14 (= R23) mutation R->A,K: No effect.; mutation to A: No activity; when associated with A-73.
C44 (≠ S53) mutation to A: No effect.
R73 (= R82) mutation to A: No effect. No activity; when associated with A-14.; mutation to K: Substantially reduced activity.
C128 (≠ G137) mutation to A: No effect.; mutation to Y: No activity.
D130 (= D139) mutation to A: No activity.; mutation to E: Substantially reduced activity.
C142 (≠ A151) mutation to A: No effect.
C172 (= C180) mutation to A: No zinc bound and no enzyme activity.
C175 (= C183) mutation to A: No zinc bound and no enzyme activity.
C187 (= C197) mutation to A: No effect.
C231 (≠ M241) mutation to A: No effect.
C244 (= C254) mutation to A: No zinc bound and almost no enzyme activity.
C247 (= C257) 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)
41% identity, 63% coverage: 13:258/390 of query aligns to 3:240/240 of 1jwbB

query
sites
1jwbB

L

L

T

S

V

D

D

Q

E

E

V

M

R

L

R

R

Y

Y

S

N

R
|
R

H

Q

L

I

I

I

I

L

P

R

D

G

V

F

A

D

M

F

D

D

G

G

Q

Q

K

E

R

A

L

L

K

K

N

D

A

S

R

R

V

V

L

L

A

I

V

V

G
|
G

A

L

G
|
G

L

L

G

G

S

C

P

A

T

A

L

S

M

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

V

V

G

G

T

N

L

L

G

T

I

L

V

L

E
x
D

F
|
F

D

D

T

T

V

V

D

S

E

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

T

I

L

H

H

G

S

Q

D

S

A

D

T

V

V

G

G

R

Q

S

P

K
|
K

A

V

E

E

S

S

A

A

R

R

D

D

S

A

V

L

L

T

N

R

I

I

N

N

P

P

Y

H

V

I

N

A

V

I

V

T

L

P

H

V

E

N

T

A

R
x
L

L

L

D

D

T

D

S

A

N

E

V

L

M

A

E

A

I

L

F

I

S

A

Q

E

Y

H

D

D

L

L

I

V

V

L

D

D

G
x
C

T
|
T

D
|
D

N
|
N

F

V

A

A

T
x
V

R

R

Y

N

L

Q

V

L

N

N

D

A

A

G

A

C

V

F

L

A

G

K

K

V

P

P

Y

L

V

V

W

S

G

G

S

A

I

A

Y

I

R

R

F

M

D

E

G

G

Q

Q

A

I

S

T

V

V

F

F

-

T

W

Y

A

Q

D

D

H

G

G

E

P

P

C
|
C

Y

Y

R

R

C

C

L

L

Y

S

P

-

E

-

P

-

G

-

M

-

V

-

P

R

S

L

C

F

A

G

E

E

G

A

G

G

V

V

L

M

G

A

V

P

L

L

C

I

A

G

S

V

I

I

A

G

S

S

I

L

Q

Q

T

A

T

M

E

E

A

A

I

I

K

K

L

M

L

L

T

A

G

G

I

Y

G

G

D

K

P

P

L

A

V

S

G

G

R

K

L

I

M

V

V

M

Y

Y

D

D

A

A

L

M

E

T

M

C

T

Q

Y

F

R

R

A

E

I

M

K

K

V

L

R

M

K

R

D

N

P

P

E

G

C
|
C

P

E

L

V

C
|
C

G

G

active site: R13 (= R23), D129 (= D139)
binding adenosine monophosphate: G37 (= G47), G39 (= G49), G40 (= G50), D61 (≠ E71), F62 (= F72), K85 (= K95), L108 (≠ R118), C127 (≠ G137), T128 (= T138), D129 (= D139), N130 (= N140), V133 (≠ T143)
binding zinc ion: C171 (= C180), C236 (= C254), C239 (= C257)

1jw9B Structure of the native moeb-moad protein complex (see paper)
41% identity, 63% coverage: 13:258/390 of query aligns to 3:240/240 of 1jw9B

query
sites
1jw9B

L

L

T

S

V

D

D

Q

E

E

V

M

R

L

R

R

Y

Y

S

N

R
|
R

H

Q

L

I

I

I

I

L

P

R

D

G

V

F

A

D

M

F

D

D

G

G

Q

Q

K

E

R

A

L

L

K

K

N

D

A

S

R

R

V

V

L

L

A

I

V

V

G

G

A

L

G

G

L

L

G

G

S

C

P

A

T

A

L

S

M

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

V

V

G

G

T

N

L

L

G

T

I

L

V

L

E

D

F

F

D

D

T

T

V

V

D

S

E

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

T

I

L

H

H

G

S

Q

D

S

A

D

T

V

V

G

G

R

Q

S

P

K

K

A

V

E

E

S

S

A

A

R

R

D

D

S

A

V

L

L

T

N

R

I

I

N

N

P

P

Y

H

V

I

N

A

V

I

V

T

L

P

H

V

E

N

T

A

R

L

L

L

D

D

T

D

S

A

N

E

V

L

M

A

E

A

I

L

F

I

S

A

Q

E

Y

H

D

D

L

L

I

V

V

L

D

D

G

C

T

T

D
|
D

N

N

F

V

A

A

T

V

R

R

Y

N

L

Q

V

L

N

N

D

A

A

G

A

C

V

F

L

A

G

K

K

V

P

P

Y

L

V

V

W

S

G

G

S

A

I

A

Y

I

R

R

F

M

D

E

G

G

Q

Q

A

I

S

T

V

V

F

F

-

T

W

Y

A

Q

D

D

H

G

G

E

P

P

C
|
C

Y

Y

R

R

C

C

L

L

Y

S

P

-

E

-

P

-

G

-

M

-

V

-

P

R

S

L

C

F

A

G

E

E

G

A

G

G

V

V

L

M

G

A

V

P

L

L

C

I

A

G

S

V

I

I

A

G

S

S

I

L

Q

Q

T

A

T

M

E

E

A

A

I

I

K

K

L

M

L

L

T

A

G

G

I

Y

G

G

D

K

P

P

L

A

V

S

G

G

R

K

L

I

M

V

V

M

Y

Y

D

D

A

A

L

M

E

T

M

C

T

Q

Y

F

R

R

A

E

I

M

K

K

V

L

R

M

K

R

D

N

P

P

E

G

C
|
C

P

E

L

V

C
|
C

G

G

active site: R13 (= R23), D129 (= D139)
binding zinc ion: C171 (= C180), C236 (= C254), C239 (= C257)

6yubA Crystal structure of uba4 from chaetomium thermophilum (see paper)
32% identity, 97% coverage: 11:388/390 of query aligns to 4:421/423 of 6yubA

query
sites
6yubA

E

K

G

S

L

L

T

S

V

K

D

E

E

E

V

I

R

E

R

R

Y

Y

S

S

R

R

H

Q

L

M

I

I

I

V

P

P

D

G

V

M

A

G

M

K

D

E

G

G

Q

Q

K

L

R

R

L

L

K

M

N

N

A

A

R

K

V

V

L

L

A

I

V

I

G

G

A

A

G

G

L

L

G

G

S

C

P

P

T

A

L

A

M

Q

Y

Y

L

L

A

A

A

G

A

A

G

G

V

V

G

G

T

T

L

I

G

G

I

I

V

V

E

D

F

G

D

D

T

S

V

V

D

E

E

T

S

S

N

N

L

L

Q

H

R

R

Q

Q

I

V

I

A

H

H

G

A

Q

T

S

K

D

R

V

V

G

G

R

M

S

L

K

K

A

V

E

D

S

S

A

L

R

I

D

T

S

H

V

L

L

I

N

E

I

I

N

N

P

P

Y

L

V

P

N

V

V

Y

V

V

L

P

H

Y

E

R

T

F

R

D

L

L

D

T

T

P

S

Q

N

N

V

A

M

A

E

Q

I

I

F

I

S

K

Q

P

Y

W

D

D

L

V

I

I

V

L

D

D

G

C

T

T

D

D

N

N

F

P

A

A

T

T

R

R

Y

Y

L

L

V

I

N

S

D

D

A

V

A

C

V

V

L

L

G

G

K

K

P

P

Y

L

V

V

W

S

G

A

S

A

I

S

Y

V

R

Q

F

K

D

S

G

G

Q

Q

-

L

-

I

-

V

-

L

-

N

-

C

-

P

-

T

-

P

A

Q

S

G

V

V

F

V

W

N

A

K

D

K

H

A

G

A

P

P

C
|
C

Y

Y

R

R

C
|
C

L

C

Y

F

P

K

E

K

P

P

P

-

G

-

M

-

V

-

P

-

S

-

C

-

A

-

E

-

G

-

G

G

V

I

L

M

G

G

V

P

L

V

C

V

A

G

S

M

I

M

A

G

S

V

I

A

Q

Q

T

A

T

G

E

E

A

A

I

I

K

K

L

I

L

L

T

V

-

S

-

Q

-

L

-

H

-

M

-

P

-

K

-

E

-

G

-

E

-

V

-

S

-

P

-

E

-

K

G

N

I

L

G

V

D

Q

P

P

L

T

V

L

G

-

R

L

L

I

M

Y

V

T

Y

Y

D

D

A

L

L

N

E

S

-

A

-

I

-

G

-

P

M

Y

T

S

Y

F

R

R

A

A

I

L

K

K

V

M

R

G

-

G

K

R

D

K

P

K

E

D

C
|
C

P

F

L

A

C
|
C

G

G

K

E

N

N

P

S

T

T

I

L

T

T

E

-

L

-

I

L

D

D

-

G

-

I

-

K

-

S

-

G

Y

N

E

P

A

N

F

Y

C

V

G

G

V

N

V

M

S

T

E

Q

E

S

A

T

Q

N

L

L

A

A

A

P

A

E

G

-

S

D

T

R

I

I

T

T

A

A

S

T

E

A

L

Y

K

N

G

E

W

K

L

R

D

R

A

N

G

G

E

E

P

L

I

G

E

E

-

H

-

I

L

L

V

L

D

D

V

T

R

R

E

E

P

K

A

E

E

H

W

F

E

S

I

F

V

G

R

S

I

I

P

P

G

G

A

A

R

V

L

N

I

V

P

P

K

F

G

S

D

K

L

F

-

L

-

V

-

K

-

A

-

S

-

I

-

K

-

R

P

P

A

A

H

E

L

L

A

L

E

P

L

M

-

Q

-

P

-

A

P

S

Q

D

D

E

R

A

R

P

V

I

V

V

Y

V

C

C

K

R

S

R

G

G

V

Q

R

D

S

S

A

Q

E

E

A

V

L

V

A

E

T

K

L

L

K

K

G

E

A

L

G

G

F

L

S

D

S

N

A

G

-

G

-

K

-

R

-

K

-

I

V

M

H

D

V

I

Q

V

G

G

V

M

T

K

A

A

W

W

A

R

T

D

Q

E

V

V

D

D

K

P

S

D

L

F

P

P

binding zinc ion: C183 (= C180), C186 (= C183), C266 (= C254), C269 (= C257)

1zfnA Structural analysis of escherichia coli thif (see paper)
38% identity, 61% coverage: 20:258/390 of query aligns to 8:244/244 of 1zfnA

query
sites
1zfnA

R

R

Y

Y

S

S

R
|
R

H

Q

L

I

I

L

P

D

D

D

V

I

A

A

M

L

D

D

G

G

Q

Q

K

Q

R

K

L

L

K

L

N

D

A

S

R

Q

V

V

L

L

A

I

V
x
I

G
|
G

A

L

G
|
G

L

L

G

G

S

T

P

P

T

A

L

A

M

L

Y

Y

L

L

A

A

A

G

A

A

G

G

V

V

G

G

T

T

L

L

G

V

I

L

V

A

E
x
D

F

D

D

D

T

D

V

V

D

H

E

L

S

S

N

N

L

L

Q

Q

R
|
R

Q
|
Q

I

I

I

L

H

F

G

T

Q

T

S

E

D

D

V

I

G

D

R

R

S

P

K
|
K

A

S

E

Q

S

V

A

S

R

Q

D

Q

S

R

V

L

L

T

N

Q

I

L

N

N

P

P

Y

D

V

I

N

Q

V

L

V

T

L

A

H

L

E

Q

T

Q

R

R

L

L

D

T

T

G

S

E

N

A

V

L

M

K

E

D

I

A

F

V

S

A

Q

R

Y

A

D

D

L

V

I

V

V

L

D

D

G

C

T
|
T

D
|
D

N

N

F

M

A

A

T
|
T

R

R

Y

Q

L

E

V

I

N

N

D

A

A

A

A

C

V

V

L

A

L

L

G

N

K

T

P

P

Y

L

V

I

W

T

G

A

S

S

I

A

Y

V

R

G

F

F

D

G

G

G

Q

Q

A

L

S

M

V

V

F

L

-

T

-

P

W

W

A

-

D

E

H

Q

G

G

P

-

C
|
C

Y

Y

R

R

C
|
C

L

L

Y

W

P

P

E

D

P

N

P

Q

P

E

P

P

G

E

M

R

V

-

P

-

S

N

C

C

A

R

E

T

G

A

G

G

V

V

L

V

G

G

V

P

L

V

C

V

A

G

S

V

I

M

A

G

S

T

I

L

Q

Q

T

A

T

L

E

E

A

A

I

I

K

K

L

L

T

S

G

G

I

I

G

E

D

T

P

P

L

-

V

A

G

G

R

E

L

L

M

R

V

L

Y

F

D

D

A

G

L

K

E

S

M

S

T

Q

Y

W

R

R

A

S

I

L

K

A

V

L

R

R

K

R

D

A

P

S

E

G

C
|
C

P

P

L

V

C
|
C

G

G

active site: R11 (= R23), D127 (= D139)
binding adenosine-5'-triphosphate: I34 (≠ V46), G35 (= G47), G37 (= G49), G38 (= G50), D59 (≠ E71), R70 (= R82), Q71 (= Q83), K83 (= K95), T126 (= T138), D127 (= D139), T131 (= T143)
binding zinc ion: C169 (= C180), C172 (= C183), C240 (= C254), C243 (= C257)

P30138 Sulfur carrier protein ThiS adenylyltransferase; EC 2.7.7.73 from Escherichia coli (strain K12) (see 3 papers)
38% identity, 61% coverage: 20:258/390 of query aligns to 8:244/251 of P30138

query
sites
P30138

R

R

Y

Y

S

S

R

R

H

Q

L

I

I

L

P

D

D

D

V

I

A

A

M

L

D

D

G

G

Q

Q

K

Q

R

K

L

L

K

L

N

D

A

S

R

Q

V

V

L

L

A

I

V

I

G

G

A

L

G

G

L

L

G

G

S

T

P

P

T

A

L

A

M

L

Y

Y

L

L

A

A

A

G

A

A

G

G

V

V

G

G

T

T

L

L

G

V

I

L

V

A

E

D

F

D

D

D

T

D

V

V

D

H

E

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

I

I

L

H

F

G

T

Q

T

S

E

D

D

V

I

G

D

R

R

S

P

K

K

A

S

E

Q

S

V

A

S

R

Q

D

Q

S

R

V

L

L

T

N

Q

I

L

N

N

P

P

Y

D

V

I

N

Q

V

L

V

T

L

A

H

L

E

Q

T

Q

R

R

L

L

D

T

T

G

S

E

N

A

V

L

M

K

E

D

I

A

F

V

S

A

Q

R

Y

A

D

D

L

V

I

V

V

L

D

D

G

C

T

T

D

D

N

N

F

M

A

A

T

T

R

R

Y

Q

L

E

V

I

N

N

D

A

A

A

A

C

V

V

L

A

L

L

G

N

K

T

P

P

Y

L

V

I

W

T

G

A

S

S

I

A

Y

V

R

G

F

F

D

G

G

G

Q

Q

A

L

S

M

V

V

F

L

-

T

-

P

W

W

A

-

D

E

H

Q

G

G

P

-

C
|
C

Y

Y

R

R

C
|
C

L

L

Y
x
W

P

P

E

D

P

N

P

Q

P

E

P

P

G

E

M

R

V

-

P

-

S

N

C
|
C

A

R

E

T

G

A

G

G

V

V

L

V

G

G

V

P

L

V

C

V

A

G

S

V

I

M

A

G

S

T

I

L

Q

Q

T

A

T

L

E

E

A

A

I

I

K

K

L

L

T

S

G

G

I

I

G

E

D

T

P

P

L

-

V

A

G

G

R

E

L

L

M

R

V

L

Y

F

D

D

A

G

L

K

E

S

M

S

T

Q

Y

W

R

R

A

S

I

L

K

A

V

L

R

R

K

R

D

A

P

S

E

G

C
|
C

P

P

L

V

C
|
C

G

G

C169 (= C180) binding Zn(2+)
C172 (= C183) binding Zn(2+)
W174 (≠ Y185) mutation to A: No adenylation of ThiS.
C184 (= C197) mutation to S: No cross-link formed with ThiS. No effect on ThiS thiocarboxylate formation in vitro. Does not support growth.
C240 (= C254) binding Zn(2+)
C243 (= C257) binding Zn(2+)

1jwaB Structure of the atp-bound moeb-moad protein complex (see paper)
38% identity, 61% coverage: 13:250/390 of query aligns to 3:217/217 of 1jwaB

query
sites
1jwaB

L

L

T

S

V

D

D

Q

E

E

V

M

R

L

R

R

Y

Y

S

N

R
|
R

H

Q

L

I

I

I

I

L

P

R

D

G

V

F

A

D

M

F

D

D

G

G

Q

Q

K

E

R

A

L

L

K

K

N

D

A

S

R

R

V

V

L

L

A

I

V

V

G

G

A

L

G
|
G

L

L

G

G

S

C

P

A

T

A

L

S

M

Q

Y

Y

L

L

A

A

A

S

A

A

G

G

V

V

G

G

T

N

L

L

G

T

I

L

V

L

E
x
D

F
|
F

D

D

T

T

V

V

D

S

E

L

S

S

N

N

L

L

Q

Q

R
|
R

Q

Q

I

T

I

L

H

H

G

S

Q

D

S

A

D

T

V

V

G

G

R

Q

S

P

K
|
K

A

V

E

E

S

S

A

A

R

R

D

D

S

A

V

L

L

T

N

R

I

I

N

N

P

P

Y

H

V

I

N

A

V

I

V

T

L

P

H

V

E

N

T

A

R
x
L

L

L

D

D

T

D

S

A

N

E

V

L

M

A

E

A

I

L

F

I

S

A

Q

E

Y

H

D

D

L

L

I

V

V

L

D

D

G

C

T

T

D
|
D

N
|
N

F

V

A

A

T
x
V

R

R

Y

N

L

Q

V

L

N

N

D

A

A

G

A

C

V

F

L

A

G

K

K

V

P

P

Y

L

V

V

W

S

G

G

S

A

I

A

Y

I

R

R

F

M

D

E

G

G

Q

Q

A

I

S

T

V

V

F

F

W

T

A

-

D

-

H

-

G

-

P

-

C

-

Y

-

R

-

C

-

L

-

Y

-

P

-

E

-

P

-

G

-

M

-

V

-

P

-

S

-

C

-

A

Y

E

E

G

A

G

G

V

V

L

M

G

A

V

P

L

L

C

I

A

G

S

V

I

I

A

G

S

S

I

L

Q

Q

T

A

T

M

E

E

A

A

I

I

K

K

L

M

L

L

T

A

G

G

I

Y

G

G

D

K

P

P

L

A

V

S

G

G

R

K

L

I

M

V

V

M

Y

Y

D

D

A

A

L

M

E

T

M

C

T

Q

Y

F

R

R

A

E

I

M

K

K

V

L

R

M

K

R

active site: R13 (= R23), D129 (= D139)
binding adenosine-5'-triphosphate: G39 (= G49), G40 (= G50), D61 (≠ E71), F62 (= F72), R72 (= R82), K85 (= K95), L108 (≠ R118), D129 (= D139), N130 (= N140), V133 (≠ T143)

1zud3 Structure of this-thif protein complex (see paper)
38% identity, 62% coverage: 17:258/390 of query aligns to 5:239/240 of 1zud3

query
sites
1zud3

E

D

V

F

R

M

R

R

Y

Y

S

S

R
|
R

H

Q

L

I

I
x
L

I

L

P
x
D

D

D

V

I

A

A

M

L

D

D

G

G

Q

Q

K

Q

R

K

L

L

K

L

N

D

A

S

R

Q

V

V

L

L

A

I

V

I

G

G

A

L

G

G

L

L

G

G

S

T

P

P

T

A

L

A

M

L

Y

Y

L

L

A

A

A

G

A

A

G

G

V

V

G

G

T

T

L

L

G

V

I

L

V

A

E

D

F

D

D

D

T

D

V

V

D

H

E

L

S

S

N

N

L

L

Q

Q

R

R

Q

Q

I

I

I

L

H

F

G

T

Q

T

S

E

D

D

V

I

G

D

R

R

S

P

K

K

A

S

E

Q

S

V

A

S

R

Q

D

Q

S

R

V

L

L

T

N

Q

I

L

N

N

P

P

Y

D

V

I

N

Q

V

L

V

T

L

A

H

L

E

Q

T

Q

R

R

L

L

D

T

T

G

S

E

N

A

V

L

M

K

E

D

I

A

F

V

S

A

Q

R

Y

A

D

D

L

V

I

V

V

L

D

D

G

C

T

T

D
|
D

N

N

F

M

A

A

T

T

R

R

Y

Q

L

E

V

I

N

N

D

A

A

A

A

C

V

V

L

A

L

L

G

N

K

T

P

P

Y

L

V

I

W

T

G

A

S

S

I

A

Y

V

R

G

F

F

D

G

G

G

Q

Q

A

L

S

M

V

V

F

L

-

T

-

P

W

W

A

-

D

E

H

Q

G

G

P

-

C
|
C

Y

Y

R

R

C

C

L

L

Y

W

P

P

E

D

P

N

P

Q

P

E

P

P

G

-

M

-

V

-

P

-

S

-

C

-

A

-

E

T

G

A

G

G

V

V

L

V

G

G

V

P

L

V

C

V

A

G

S

V

I

M

A

G

S

T

I

L

Q

Q

T

A

T

L

E

E

A

A

I

I

K

K

L

L

T

S

G

G

I

I

G

E

D

T

P

P

L

-

V

A

G

G

R

E

L

L

M

R

V

L

Y

F

D

D

A

G

L

K

E

S

M

S

T

Q

Y

W

R

R

A

S

I

L

K

A

V

L

R

R

K

R

D

A

P

S

E

G

C
|
C

P

P

L

V

C
|
C

G

G

active site: R11 (= R23), D127 (= D139)
binding calcium ion: L14 (≠ I26), D16 (≠ P28)
binding zinc ion: C169 (= C180), C235 (= C254), C238 (= C257)

6yubB Crystal structure of uba4 from chaetomium thermophilum (see paper)
35% identity, 65% coverage: 11:264/390 of query aligns to 5:275/289 of 6yubB

query
sites
6yubB

E

K

G

S

L

L

T

S

V

K

D

E

E

E

V

I

R

E

R

R

Y

Y

S

S

R

R

H

Q

L

M

I

I

I

V

P

P

D

G

V

M

A

G

M

K

D

E

G

G

Q

Q

K

L

R

R

L

L

K

M

N

N

A

A

R

K

V

V

L

L

A

I

V

I

G

G

A

A

G

G

L

L

G

G

S

C

P

P

T

A

L

A

M

Q

Y

Y

L

L

A

A

A

G

A

A

G

G

V

V

G

G

T

T

L

I

G

G

I

I

V

V

E

D

F

G

D

D

T

S

V

V

D

E

E

T

S

S

N

N

L

L

Q

H

R

R

Q

Q

I

V

I

A

H

H

G

A

Q

T

S

K

D

R

V

V

G

G

R

M

S

L

K

K

A

V

E

D

S

S

A

L

R

I

D

T

S

H

V

L

L

I

N

E

I

I

N

N

P

P

Y

L

V

P

N

V

V

Y

V

V

L

P

H

Y

E

R

T

F

R

D

L

L

D

T

T

P

S

Q

N

N

V

A

M

A

E

Q

I

I

F

I

S

K

Q

P

Y

W

D

D

L

V

I

I

V

L

D

D

G

C

T

T

D

D

N

N

F

P

A

A

T

T

R

R

Y

Y

L

L

V

I

N

S

D

D

A

V

A

C

V

V

L

L

G

G

K

K

P

P

Y

L

V

V

W

S

G

A

S

A

I

S

Y

V

R

Q

F

K

D

S

G

G

Q

Q

-

L

-

I

-

V

-

L

-

N

-

C

-

P

-

T

-

P

A

Q

S

G

V

V

F

V

W

N

A

K

D

K

H

A

G

A

P

P

C
|
C

Y

Y

R

R

C
|
C

L

C

Y

F

P

K

E

-

P

-

G

-

M

-

V

-

P

-

S

-

C

-

A

-

E

-

G

-

G

G

V

I

L

M

G

G

V

P

L

V

C

V

A

G

S

M

I

M

A

G

S

V

I

A

Q

Q

T

A

T

G

E

E

A

A

I

I

K

K

L

I

L

L

T

V

-

S

-

Q

-

L

-

H

-

M

-

P

-

K

-

E

-

G

-

E

-

V

-

S

-

P

-

E

-

K

G

N

I

L

G

V

D

Q

P

P

L

T

V

L

G

-

R

L

L

I

M

Y

V

T

Y

Y

D

D

A

L

L

N

E

S

-

A

-

I

-

G

-

P

M

Y

T

S

Y

F

R

R

A

A

I

L

K

K

V

M

-

G

R

G

K

R

D

K

P

K

E

D

C
|
C

P

F

L

A

C

C

G

G

K

E

N

N

P

S

T

T

I

L

T

T

binding zinc ion: C184 (= C180), C187 (= C183), C265 (= C254)

6xogB Structure of sumo1-ml786519 adduct bound to sae (see paper)
36% identity, 39% coverage: 42:192/390 of query aligns to 12:162/500 of 6xogB

query
sites
6xogB

R

R

V

V

L

L

A

V

V

V

G

G

A

A

G

G

L

I

G

G

S

C

P

E

T

L

L

L

M

K

Y

N

L

L

A

V

A

L

A

T

G

G

V

F

G

S

T

H

L

I

G

D

I

L

V

I

E
x
D

F
x
L

D

D

T

T

V

I

D

D

E

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

I

L

H

F

G

Q

Q

K

S

K

D

H

V

V

G

G

R

R

S

S

K
|
K

A

A

E

Q

S

V

A

A

R

K

D

E

S

S

V

V

L

L

N

Q

I

F

N

Y

P

P

Y

K

V

A

N

N

V

I

V

V

-

A

L

Y

H

H

E

D

T
x
S

R
x
I

L
x
M

D

N

T

P

S

D

N

Y

V

N

M

V

E

E

I

F

F

F

S

R

Q

Q

Y

F

D

I

L

L

I

V

V

M

D

N

G
x
A

T

L

D
|
D

N
|
N

F

R

A

A

T

A

R

R

Y

N

L

H

V

V

N

N

D

R

A

M

A

C

V

L

L

A

G

D

K

V

P

P

Y

L

V

I

W

E

G

S

S

G

I

T

Y

A

R

G

F

Y

D

L

G

G

Q

Q

A

V

S

T

V

T

F

I

W

K

A

K

D

G

H

V

G

T

P

E

C
|
C

Y

Y

R

E

C
|
C

L

-

Y

H

P

P

E

K

P

P

P

T

P

F

P

P

G

G

active site: D110 (= D139)
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 (≠ E71), L42 (≠ F72), K65 (= K95), S88 (≠ T117), I89 (≠ R118), M90 (≠ L119), A108 (≠ G137), D110 (= D139), N111 (= N140)
binding zinc ion: C151 (= C180), C154 (= C183)

Sites not aligning to the query:

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

6xoiB Structure of sumo1-ml00752641 adduct bound to sae (see paper)
35% identity, 37% coverage: 42:186/390 of query aligns to 12:157/403 of 6xoiB

query
sites
6xoiB

R

R

V

V

L

L

A

V

V

V

G

G

A

A

G

G

G
|
G

L

I

G

G

S

C

P

E

T

L

L

L

M

K

Y

N

L

L

A

V

A

L

A

T

G

G

V

F

G

S

T

H

L

I

G

D

I

L

V

I

E
x
D

F
x
L

D

D

T

T

V

I

D

D

E

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

I

L

H

F

G

Q

Q

K

S

K

D

H

V

V

G

G

R

R

S

S

K
|
K

A

A

E

Q

S

V

A

A

R

K

D

E

S

S

V

V

L

L

N

Q

I

F

N

Y

P

P

Y

K

V

A

N

N

V

I

V

V

-

A

L

Y

H

H

E

D

T
x
S

R
x
I

L

M

D

N

T

P

S

D

N

Y

V

N

M

V

E

E

I

F

F

F

S

R

Q

Q

Y

F

D

I

L

L

I

V

V

M

D

N

G
x
A

T
x
L

D
|
D

N
|
N

F

R

A

A

T

A

R

R

Y

N

L

H

V

V

N

N

D

R

A

M

A

C

V

L

L

A

G

D

K

V

P

P

Y

L

V

I

W

E

G

S

S

G

I

T

Y

A

R

G

F

Y

D

L

G

G

Q

Q

A

V

S

T

V

T

F

I

W

K

A

K

D

G

H

V

G

T

P

E

C
|
C

Y

Y

R

E

C
|
C

L

H

Y

F

P

P

active site: D110 (= D139)
binding [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate: G20 (= G50), D41 (≠ E71), L42 (≠ F72), K65 (= K95), S88 (≠ T117), I89 (≠ R118), A108 (≠ G137), L109 (≠ T138), D110 (= D139), N111 (= N140)
binding zinc ion: C151 (= C180), C154 (= C183)

Sites not aligning to the query:

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

3kydB Human sumo e1~sumo1-amp tetrahedral intermediate mimic (see paper)
35% identity, 38% coverage: 42:188/390 of query aligns to 16:162/477 of 3kydB

query
sites
3kydB

R

R

V

V

L

L

A

V

V

V

G

G

A

A

G

G

L
x
I

G

G

S

C

P

E

T

L

L

L

M

K

Y

N

L

L

A

V

A

L

A

T

G

G

V

F

G

S

T

H

L

I

G

D

I

L

V

I

E
x
D

F
x
L

D

D

T

T

V

I

D

D

E

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

I

L

H

F

G

Q

Q

K

S

K

D

H

V

V

G

G

R

R

S

S

K
|
K

A

A

E

Q

S

V

A

A

R

K

D

E

S

S

V

V

L

L

N

Q

I

F

N

Y

P

P

Y

K

V

A

N

N

V

I

V

V

-

A

L

Y

H

H

E

D

T
x
S

R
x
I

L

M

D

N

T

P

S

D

N

Y

V

N

M

V

E

E

I

F

F

F

S

R

Q

Q

Y

F

D

I

L

L

I

V

V

M

D

N

G

A

T
x
L

D
|
D

N
|
N

F

R

A

A

T

A

R

R

Y

N

L

H

V

V

N

N

D

R

A

M

A

C

V

L

L

A

G

D

K

V

P

P

Y

L

V

I

W

E

G

S

S

G

I

T

Y

A

R

G

F

Y

D

L

G

G

Q

Q

A

V

S

T

V

T

F

I

W

K

A

K

D

G

H

V

G

T

P

E

C
|
C

Y

Y

R

E

C
|
C

L

-

Y

H

P

P

E

K

P

P

active site: D114 (= D139)
binding 5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine: I25 (≠ L51), D45 (≠ E71), L46 (≠ F72), K69 (= K95), S92 (≠ T117), I93 (≠ R118), L113 (≠ T138), D114 (= D139), N115 (= N140)
binding zinc ion: C155 (= C180), C158 (= C183)

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

3kycB Human sumo e1 complex with a sumo1-amp mimic (see paper)
35% identity, 38% coverage: 42:188/390 of query aligns to 15:161/548 of 3kycB

query
sites
3kycB

R

R

V

V

L

L

A

V

V

V

G

G

A

A

G
|
G

L

I

G

G

S

C

P

E

T

L

L

L

M

K

Y

N

L

L

A

V

A

L

A

T

G

G

V

F

G

S

T

H

L

I

G

D

I

L

V

I

E
x
D

F
x
L

D

D

T

T

V

I

D

D

E

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

I

L

H

F

G

Q

Q

K

S

K

D

H

V

V

G

G

R

R

S

S

K
|
K

A

A

E

Q

S

V

A

A

R

K

D

E

S

S

V

V

L

L

N

Q

I

F

N

Y

P

P

Y

K

V

A

N

N

V

I

V

V

-

A

L

Y

H

H

E

D

T
x
S

R
x
I

L

M

D

N

T

P

S

D

N

Y

V

N

M

V

E

E

I

F

F

F

S

R

Q

Q

Y

F

D

I

L

L

I

V

V

M

D

N

G

A

T
x
L

D
|
D

N
|
N

F

R

A

A

T

A

R

R

Y

N

L

H

V

V

N

N

D

R

A

M

A

C

V

L

L

A

G

D

K

V

P

P

Y

L

V

I

W

E

G

S

S

G

I

T

Y

A

R

G

F

Y

D

L

G

G

Q

Q

A

V

S

T

V

T

F

I

W

K

A

K

D

G

H

V

G

T

P

E

C
|
C

Y

Y

R

E

C
|
C

L

-

Y

H

P

P

E

K

P

P

active site: D113 (= D139)
binding 5'-deoxy-5'-(sulfamoylamino)adenosine: G22 (= G49), G23 (= G50), D44 (≠ E71), L45 (≠ F72), K68 (= K95), S91 (≠ T117), I92 (≠ R118), L112 (≠ T138), D113 (= D139), N114 (= N140)
binding zinc ion: C154 (= C180), C157 (= C183)

Sites not aligning to the query:

active site: 169, 170, 172
binding zinc ion: 407, 410

6xohB Structure of sumo1-ml00789344 adduct bound to sae (see paper)
35% identity, 39% coverage: 42:192/390 of query aligns to 14:164/490 of 6xohB

query
sites
6xohB

R

R

V

V

L

L

A

V

V

V

G

G

A

A

G

G

L

I

G

G

S

C

P

E

T

L

L

L

M

K

Y

N

L

L

A

V

A

L

A

T

G

G

V

F

G

S

T

H

L

I

G

D

I

L

V

I

E
x
D

F
x
L

D

D

T

T

V

I

D

D

E

V

S

S

N

N

L

L

Q

N

R

R

Q

Q

I

F

I

L

H

F

G

Q

Q

K

S

K

D

H

V

V

G

G

R

R

S

S

K
|
K

A

A

E

Q

S

V

A

A

R

K

D

E

S

S

V

V

L

L

N

Q

I

F

N

Y

P

P

Y

K

V

A

N

N

V

I

V

V

-

A

L

Y

H

H

E

D

T
x
S

R
x
I

L
x
M

D

N

T

P

S

D

N

Y

V

N

M

V

E

E

I

F

F

F

S

R

Q

Q

Y

F

D

I

L

L

I

V

V

M

D

N

G

A

T
x
L

D
|
D

N
|
N

F

R

A

A

T

A

R

R

Y

N

L

H

V

V

N

N

D

R

A

M

A

C

V

L

L

A

G

D

K

V

P

P

Y

L

V

I

W

E

G

S

S

G

I

T

Y

A

R

G

F

Y

D

L

G

G

Q

Q

A

V

S

T

V

T

F

I

W

K

A

K

D

G

H

V

G

T

P

E

C
|
C

Y

Y

R

E

C
|
C

L

-

Y

H

P

P

E

K

P

R

P

T

P

F

P

P

G

G

active site: D112 (= D139)
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 (≠ E71), L44 (≠ F72), K67 (= K95), S90 (≠ T117), I91 (≠ R118), M92 (≠ L119), L111 (≠ T138), D112 (= D139), N113 (= N140)
binding zinc ion: C153 (= C180), C156 (= C183)

Sites not aligning to the query:

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

Query Sequence

>WP_011607102.1 NCBI__GCF_000058485.1:WP_011607102.1
MSLPPLVDPAEGLTVDEVRRYSRHLIIPDVAMDGQKRLKNARVLAVGAGGLGSPTLMYLA
AAGVGTLGIVEFDTVDESNLQRQIIHGQSDVGRSKAESARDSVLNINPYVNVVLHETRLD
TSNVMEIFSQYDLIVDGTDNFATRYLVNDAAVLLGKPYVWGSIYRFDGQASVFWADHGPC
YRCLYPEPPPPGMVPSCAEGGVLGVLCASIASIQTTEAIKLLTGIGDPLVGRLMVYDALE
MTYRAIKVRKDPECPLCGKNPTITELIDYEAFCGVVSEEAQLAAAGSTITASELKGWLDA
GEPIELVDVREPAEWEIVRIPGARLIPKGDLPAHLAELPQDRRVVVYCKSGVRSAEALAT
LKGAGFSSAVHVQGGVTAWATQVDKSLPVY

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