SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_035132637.1 NCBI__GCF_000769915.1:WP_035132637.1 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 19 hits to proteins with known functional sites (download)

P78753 Probable asparagine synthetase [glutamine-hydrolyzing]; Glutamine-dependent asparagine synthetase; EC 6.3.5.4 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
50% identity, 98% coverage: 1:527/538 of query aligns to 1:555/557 of P78753

query
sites
P78753

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S391 (≠ A367) modified: Phosphoserine
S489 (= S462) modified: Phosphoserine

P22106 Asparagine synthetase B [glutamine-hydrolyzing]; AS-B; EC 6.3.5.4 from Escherichia coli (strain K12) (see 2 papers)
48% identity, 98% coverage: 1:527/538 of query aligns to 1:552/554 of P22106

query
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P22106

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M1 (= M1) modified: Initiator methionine, Removed
C2 (= C2) mutation C->A,S: Loss of glutamine-dependent activity but no effect on ammonia-dependent asparagine synthetase activity.
H30 (= H26) mutation to A: 4,5-fold decrease in glutamine affinity.
D34 (= D30) mutation D->N,E: Little effect on the kinetic properties.
H81 (= H77) mutation to A: 5-fold decrease in glutamine affinity.
A105 (≠ H101) mutation to H: Little effect on the kinetic properties.
E349 (= E332) mutation E->A,Q: Loss of glutamine- and ammonia-dependent synthetase activity, but still exhibits glutaminase activity.; mutation to D: 5-fold increase in affinity for aspartate when assaying both the glutamine- and ammonia-dependent synthetase reactions, and 2-fold decrease in kcat for these reactions. Modifies the product glutamate/asparagine stoichiometry.

1ct9A Crystal structure of asparagine synthetase b from escherichia coli (see paper)
52% identity, 90% coverage: 19:503/538 of query aligns to 22:495/497 of 1ct9A

query
sites
1ct9A

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A

G

G

H

S

Y

Y

Y

L

T

W

P

S

E

Q

T

D

G

G

F

E

V

I

K

R

-

S

Y

Y

K

H

P

R

Q

D

W

W

E

F

D

D

A

-

V

Y

T

D

A

A

V

V

G

K

D

D

-

N

-

V

A

T

D

D

L

K

E

N

A

E

L

L

R

R

Q

Q

G

A

L

L

T

E

Q

D

A

S

V

V

E

K

K

S

R

H

L

L

M

M

S

S

D

D

V

V

P

P

V

Y

G

G

V

V

L
|
L

S
|
S

G

G

L

L

D

D

S
|
S

S

S

L

I

I

I

S

S

S

A

V

I

A

T

S

K

R

K

L

Y

A

A

K

-

Q

-

R

-

G

-

Q

-

E

-

L

L

H

H

S

S

F

F

S
x
A

I
x
V

G

G

L

L

D

-

A

P

A

G

A

S

P

P

D
|
D

V

L

V

K

A

A

R

Q

K

E

V

V

A

A

Q

N

F

H

L

L

D

G

T

T

K

V

H

H

E

E

I

I

Y

H

F

F

T

T

I

V

E

Q

Q

E

G

G

I

L

A

D

V

A

L

I

D

R

K

D

L

V

I

I

W

Y

H

H

L

I

E

E

T

T

Y

Y

D

D

V

V

T
|
T

S

T

V

I

R
|
R

A

A

S

S

T

T

P

P

M

M

Y

Y

F

L

L
x
M

S

S

E

R

A

K

I

I

T

K

Q

A

K

M

G

G

I

I

K

K

V

M

V

V

L

L

S
|
S

G
|
G

E
|
E

G

G

A

S

D

D

E

E

I

V

F

F

G

G

Y

Y

L

L

Y

Y

F

F

R

H

N

K

A

A

P

P

T

N

E

A

K

K

D

E

F

L

Q

H

K

E

E

E

L

T

I

V

D

R

R

K

V

L

Q

L

K

A

L

L

F

H

T
x
M

A

Y

D

D

L

C

L

A

R

R

A

A

D

N

K

K

S

A

T

M

M

S

A

A

H

W

G

G

L

V

E

E

A

A

R

R

V

V

P

P

F

F

L

L

D

D

K

K

Q

K

F

F

L

L

E

D

V

V

A

A

M

M

K

R

I

I

K

N

P

P

Q

Q

E

D

K

K

Q

M

P

-

K

-

T

-

Y

-

C

C

G

K

V

M

E

E

K

K

Y

H

I

I

L

L

R

R

K

E

A

C

F

F

D

E

T

A

P

-

Q

-

P

-

Y

Y

L

L

P

P

D

A

E

S

V

V

L

A

W

W

R

R

Q

Q

K

K

E

E

Q

Q

F

F

S

S

D

D

G

G

V

V

G

G

Y

Y

S

S

W

W

I

I

D

D

T

T

L

L

I

K

E

E

Y

V

C

A

A

A

S

Q

Q

Q

V

V

S

S

D

D

A

Q

D

Q

M

L

E

E

K

T

A

A

E

R

E

F

R

R

F

F

P

P

Y

Y

N

N

T

T

P

P

A

T

T

S

K

K

E

E

A

A

Y

Y

Y

L

Y

Y

R

R

S

E

V

I

F

F

Q

E

K

E

H

L

F

F

P

P

Q

L

R

P

S

S

A

A

Q

E

T

C

V

V

active site: L50 (= L48), N74 (= N71), G75 (= G72), T305 (= T305), R308 (= R308), E332 (= E332), M366 (≠ T366)
binding adenosine monophosphate: L232 (= L225), L233 (= L226), S234 (= S227), S239 (= S232), A255 (≠ S254), V256 (≠ I255), D263 (= D263), M316 (≠ L316), S330 (= S330), G331 (= G331), E332 (= E332)
binding glutamine: R49 (= R47), L50 (= L48), I52 (= I50), V53 (≠ I51), N74 (= N71), G75 (= G72), E76 (= E73), D98 (= D95)

Sites not aligning to the query:

active site: 1
binding glutamine: 1

P08243 Asparagine synthetase [glutamine-hydrolyzing]; Cell cycle control protein TS11; Glutamine-dependent asparagine synthetase; EC 6.3.5.4 from Homo sapiens (Human) (see 7 papers)
38% identity, 97% coverage: 1:520/538 of query aligns to 1:551/561 of P08243

query
sites
P08243

M

M

C
|
C

G

G

I

I

L

W

A
|
A

I

L

I

F

G

G

R

-

G

-

K

S

D

D

E

D

A

C

L

L

V

S

K

V

Q

Q

L

C

-

L

-

S

S

A

K

M

R

K

M

I

S

A

H

H

R

R

G

G

P

P

D

D

E

A

S

F

D

R

L

F

H

E

V

N

T

V

E

N

-

G

-

Y

K

T

G

N

H

C

I

C

L

F

S

G

H

F

E

H

R

R

L

L

S

A

I

V

D

D

L

P

T

L

T

F

G

G

K

M

Q

Q

P

P

I

I

Q

R

G

V

T

K

N

K

N

Y

A

P

-

Y

-

L

W

W

M

L

V

C

H

Y

N

N

G

G

E

E

I

I

Y

Y

N

N

H

H

Q

K

E

K

L

M

R

Q

D

Q

T

H

V

F

L

-

K

-

S

E

H

F

T

E

F

Y

R

Q

T

T

H

K

S

V

D

D

S

G

E

E

V

I

I

I

V

L

H

H

L

L

Y

Y

E

D

E

K

F

G

G

G

N

I

E

E

-

Q

-

T

F

I

C

C

H

-

L

M

L

L

D

D

G

G

M

V

F

F

A

A

F

F

V

V

V

L

I

L

-

D

-

T

K

A

G

N

D

K

E

K

F

V

I

F

A

L

G

G

L

R

D

D

P

T

L

Y

G

G

V

V

K

R

P

P

L

L

Y

F

Y

K

G

A

L

M

D

T

E

E

R

D

G

G

R

F

I

L

Y

A

F

V

A

C

S

S

E

E

M

A

K

K

A

G

L

L

-

V

-

T

-

L

-

K

-

H

-

S

A

A

D

T

Q

P

C

F

K

L

T

K

F

V

S

E

T

P

F

F

P

L

P

P

G

G

H

H

Y

Y

-

E

-

V

-

L

-

D

-

L

-

K

-

P

-

N

-

G

Y

K

T

V

P

A

E

S

T

V

G

E

F

M

V

V

K

K

Y

Y

Y

H

K

H

P

C

Q

R

-

D

-
x
V

-

P

-

L

-

H

-

A

-

L

W

Y

E

D

D

N

A

V

V

E

T

K

A

L

V

F

G

P

D

G

A

F

D

E

L

I

E

E

A

T

L

V

R

K

Q

N

G

N

L

L

-

R

-

I

-

L

-

F

T

N

Q

N

A

A

V

V

E

K

K

K

R

R

L

L

M

M

S

T

D

D

V

R

P

R

V

I

G

G

V

C

L

L

S

S

G

G

L

L

D

D

S

S

L

L

I

V

S

A

V

T

A

L

S

L

R

K

L

Q

A

L

K

K

-

E

-

A

Q

Q

R

V

G

Q

Q

Y

E

P

L

L

H

Q

S

T

F

F

S

A

I

I

G

G

L

M

D

E

A

D

A

S

A

-

P

P

D

D

V

L

A

A

R

R

K

K

V

V

A

A

Q

D

F

H

L

I

D

G

T

S

K

E

H

H

H

Y

E

E

I

V

Y

L

F

F

T

N

I

S

E

E

Q

E

G

G

I

I

A

Q

V

A

L

L

D

D

K

E

L

V

I

I

W

F

H

S

L

L

E

E

T

T

Y

Y

D

D

V

I

T

T

S

T

V

V

R

R

A

A

S

S

T

V

P

G

M

M

Y

Y

F

L

L

I

S

S

E

K

A

Y

I

I

T

R

Q

K

K

N

G

T

I

D

K

S

V

V

L

I

-
x
F

S

S

G

G

E

E

G

G

A

S

D

D

E

E

I

L

F

T

G

Q

G

G

Y

Y

L

I

Y

Y

F

F

R

H

N

K

A

A

P

P

T

S

E

P

K

E

D

K

F

A

Q

E

K

E

E

E

L

S

I

E

D

R

R

L

V

L

Q

R

K

E

L

L

F

Y

T

L

A

F

D

D

L

V

L

L

R

R

A

A

D

D

K

R

S

T

T

T

M

A

A

A

H

H

G

G

L

L

E

E

A

L

R

R

V

V

P

P

F

F

L

L

D

D

K

H

Q

R

F

F

L

S

E

S

V

Y

A

Y

M

L

K

S

I

L

K

P

P

P

Q

E

E

M

K

R

Q

I

P

P

K

K

T

N

Y

-

C

-

G

G

V

I

E

E

K

K

Y

H

I

L

L

L

R

R

K

E

A

T

F

F

D

E

T

D

P

S

Q

N

Q

-

P

-

Y

L

L

I

P

P

D

K

E

E

V

I

L

L

W

W

R

R

Q

P

K

K

E

E

Q

A

F

F

S

S

D

D

G

G

-

I

-

T

-

S

V

V

G

K

Y

N

S

S

W

W

I

F

D

K

T

I

L

L

I

Q

E

E

Y

Y

C

V

A

E

S

H

Q

Q

V

V

S

D

D

D

A

A

D

M

M

M

E

A

K

N

A

A

E

A

E

Q

R

K

F

F

P

P

Y

F

N

N

T

T

P

P

A

K

T

T

K

K

E

E

A

G

Y

Y

R

R

S

Q

V

V

F

F

Q

E

K

R

H

H

F

Y

P

P

Q

G

R

R

S

-

A

A

A

D

Q

W

T

L

V

S

R

H

K

Y

W

W

I

M

P

P

K

K

W

W

Q

I

E

N

N

A

S

T

D

D

P

P

S

S

G

A

R
|
R

A

T

C2 (= C2) active site, For GATase activity; mutation to A: Loss of the glutamine-dependent asparagine synthetase activity, while the ammonia-dependent activity remained unaffected.
A6 (= A6) to E: in ASNSD; dramatic reduction in protein abundance; dbSNP:rs398122975
V210 (vs. gap) to E: in dbSNP:rs1049674
F362 (vs. gap) to V: in ASNSD; dramatic reduction in protein abundance; dbSNP:rs398122973
R550 (= R519) to C: in ASNSD; increases level of protein abundance; dbSNP:rs398122974

6gq3A Human asparagine synthetase (asns) in complex with 6-diazo-5-oxo-l- norleucine (don) at 1.85 a resolution (see paper)
38% identity, 92% coverage: 2:498/538 of query aligns to 1:504/509 of 6gq3A

query
sites
6gq3A

C
|
C

G

G

I

I

L
x
W

A

A

I

L

I

F

G

G

R

-

G

-

K

S

D

D

E

D

A

C

L

L

V

S

K

V

Q

Q

L

C

-

L

-

S

S

A

K

M

R

K

M

I

S

A

H

H

R

R

G

G

P

P

D

D

E

A

S

F

D

R

L

F

H

E

V

N

T

V

E

N

-

G

-

Y

K

T

G

N

H

C

I

C

L

F

S

G

H

F

E

H

R
|
R

L
|
L

S

A

I
x
V

D

D

L

P

T

L

T

F

G

G

K

M

Q

Q

P

P

I

I

Q

R

G

V

T

K

N

K

N

Y

A

P

-

Y

-

L

W

W

M

L

V

C

H
x
Y

N
|
N

G
|
G

E
|
E

I

I

Y

Y

N

N

H

H

Q

K

E

K

L

M

R

Q

D

Q

T

H

V

F

L

-

K

-

S

E

H

F

T

E

F

Y

R

Q

T

T

H

K

S
x
V

D
|
D

S

G

E

E

V

I

I

I

V

L

H

H

L

L

Y

Y

E

D

E

K

F

G

G

G

N

I

E

E

-

Q

-

T

F

I

C

C

H

-

L

M

L

L

D

D

G

G

M

V

F

F

A

A

F

F

V

V

V

L

I

L

-

D

-

T

K

A

G

N

D

K

E

K

F

V

I

F

A

L

G

G

L

R

D

D

P

T

L

Y

G

G

V

V

K

R

P

P

L

L

Y

F

Y

K

G

A

L

M

D

T

E

E

R

D

G

G

R

F

I

L

Y

A

F

V

A

C

S

S

E

E

M

A

K

K

A

G

L

L

-

V

-

T

-

L

-

K

-

H

-

S

A

A

D

T

Q

P

C

F

K

L

T

K

F

V

S

E

T

P

F

F

P

L

P

P

G

G

H

H

Y

Y

-

E

-

V

-

L

-

D

Y

L

T

K

P

P

E

N

T

G

G

K

F

V

V

A

K

S

Y

V

Y

E

K

M

P

V

Q

K

W

Y

E

H

D

H

A

C

V

R

T

D

A

V

V

F

G

P

D

G

A

F

D

E

L

I

E

E

A

T

L

V

R

K

Q

N

G

N

L

L

-

R

-

I

-

L

-

F

T

N

Q

N

A

A

V

V

E

K

K

K

R

R

L

L

M

M

S

T

D

D

V

R

P

R

V

I

G

G

V

C

L

L

S

S

G

G

L

L

D

D

S

S

L

L

I

V

S

A

V

T

A

L

S

L

R

K

L

Q

A

L

K

K

-

E

-

A

Q

Q

R

V

G

Q

Q

Y

E

P

L

L

H

Q

S

T

F

F

S

A

I

I

G

G

L

M

D

E

A

D

A

S

A

-

P

P

D

D

V

L

A

A

R

R

K

K

V

V

A

A

Q

D

F

H

L

I

D

G

T

S

K

E

H

H

H

Y

E

E

I

V

Y

L

F

F

T

N

I

S

E

E

Q

E

G

G

I

I

A

Q

V

A

L

L

D

D

K

E

L

V

I

I

W

F

H

S

L

L

E

E

T

T

Y

Y

D

D

V

I

T
|
T

S

T

V

V

R
|
R

A

A

S

S

T

V

P

G

M

M

Y

Y

F

L

L

I

S

S

E

K

A

Y

I

I

T

R

Q

K

K

N

G

T

I

D

K

S

V

V

L

I

-

F

S

S

G

G

E

E

G

G

A

S

D

D

E

E

I

L

F

T

G

Q

G

G

Y

Y

L

I

Y

Y

F

F

R

H

N

K

A

A

P

P

T

S

E

P

K

E

D

K

F

A

Q

E

K

E

E

E

L

S

I

E

D

R

R

L

V

L

Q

R

K

E

L

L

F

Y

T

L

A

F

D

D

L

V

L

L

R

R

A

A

D

D

K

R

S

T

T

T

M

A

A

A

H

H

G

G

L

L

E

E

A

L

R

R

V

V

P

P

F

F

L

L

D

D

K

H

Q

R

F

F

L

S

E

S

V

Y

A

Y

M

L

K

S

I

L

K

P

P

P

Q

E

E

M

K

R

Q

I

P

P

K

K

T

N

Y

-

C

-

G

G

V

I

E

E

K

K

Y

H

I

L

L

L

R

R

K

E

A

T

F

F

D

E

T

D

P

S

Q

N

Q

-

P

-

Y

L

L

I

P

P

D

K

E

E

V

I

L

L

W

W

R

R

Q

P

K

-

E

-

Q

-

F

-

S

-

D

-

G

-

V

-

G

-

Y

-

S

S

W

W

I

F

D

K

T

I

L

L

I

Q

E

E

Y

Y

C

V

A

E

S

H

Q

Q

V

V

S

D

D

D

A

A

D

M

M

M

E

A

K

N

A

A

E

A

E

Q

R

K

F

F

P

P

Y

F

N

N

T

T

P

P

A

K

T

T

K

K

E

E

A

G

Y

Y

R

R

S

Q

V

V

F

F

Q

E

K

R

H

H

F

Y

P

P

Q

G

R

R

S

A

active site: W4 (≠ L5), L49 (= L48), N74 (= N71), G75 (= G72), T324 (= T305), R327 (= R308)
binding 5-oxo-l-norleucine: C1 (= C2), R48 (= R47), V51 (≠ I50), V52 (≠ I51), Y73 (≠ H70), N74 (= N71), G75 (= G72), E76 (= E73), V95 (≠ S94), D96 (= D95)

1mb9A Beta-lactam synthetase complexed with atp (see paper)
27% identity, 70% coverage: 69:442/538 of query aligns to 68:435/485 of 1mb9A

query
sites
1mb9A

V

V

H

L

N
x
A

G
|
G

E

E

I

I

Y

Y

N

N

H

R

Q

D

E

E

L

L

R

L

D

-

T

S

V

V

L

L

K

P

S

A

H

G

T

P

F

A

R

-

T

P

H

E

S

G

D

D

S

A

E

E

V

L

I

V

V

L

H

R

L

L

Y

L

E

E

E

R

F

Y

G

D

N

L

E

H

F

A

C

F

H

R

L

L

L

V

D

N

G

G

M

R

F

F

A

A

F

T

V

V

I

R

K

T

G

G

D

D

E

R

F

V

I

L

A

L

G

A

L

T

D

D

P

H

L

A

G

G

V

S

K

V

P

P

L

L

Y

Y

Y

T

G

C

L

V

D

A

E

P

R

-

G

G

R

E

I

V

Y

R

F

A

A

S

S

T

E

E

M

A

K

K

A

A

L

L

A

A

D

-

Q

-

C

-

K

-

T

-

F

-

S

-

T

A

F

F

P

P

-

L

-

A

-

D

-

A

-

R

-

V

-

A

-

G

-

L

P

T

G

G

H

V

Y

Y

Y

Q

T

V

P

P

E

A

T

G

G

A

F

V

V

M

-

D

-

I

-

D

-

L

-

G

-

S

-

G

-

T

-

A

-

V

-

T

-

H

K

R

Y

T

Y

W

K

T

P

P

Q

G

W

L

E

S

D

R

A

R

V

I

T

L

A

P

V

E

G

G

D

E

A

A

D

-

L

V

E

A

A

A

L

V

R

R

Q

A

G

A

L

L

T

E

Q

K

A

A

V

V

E

A

K

Q

R

R

L

V

M

T

-

P

S

G

D

D

V

T

P

P

V

L

G

-

V

V

L
x
V

L
|
L

S
|
S

G

G

G
|
G

L

I

D
|
D

S
|
S

S

S

L

G

I

V

S

A

V

C

A

A

S

H

R

R

L

A

A

A

K

G

Q

-

R

-

G

-

Q

-

E

E

L

L

H

D

S

T

F

V

S
|
S

I
x
M

G

G

L

T

D

D

A

T

A

S

A

N

P

-

D

E

V

F

V

R

A

E

A

A

R

R

K

A

V

V

A

V

Q

D

F

H

L

L

D

R

T

T

K

R

H

H

H

R

E

E

I

I

Y

T

F

I

T

P

I

T

E

T

Q

E

G

L

I

L

A

A

V

Q

L

L

D

P

K

Y

L

A

I

V

W

W

H

A

L

S

E

E

T

S

Y

V

D

D

V

P

T
x
D

S

I

V

I

R

E

A
x
Y

S

L

T

L

P

P

M
x
L

Y

T

F

A

L

L

S

Y

E

R

A

A

I

L

T

D

Q

G

K

P

G

E

I

-

K

R

V

R

V

I

L

L

S

T

G
|
G

E
x
Y

G

G

A

A

D
|
D

E

I

I

P

F

L

G

G

Y

M

L

-

Y

-

F

-

R

-

N

-

A

-

P

-

T

-

E

-

K

-

D

-

F

H

Q

R

K

E

E

D

L

R

I

L

D

P

R

A

V

L

Q

D

K

T

L

V

F

L

T

A

A

H

D

D

L

M

L

A

R

T

A

F

D

D

K

G

-

L

-

N

-
x
E

-

M

-

S

-

P

-

V

-

L

S

S

T

T

M

L

A

A

H

-

G

G

L

H

E

W

A

T

R

T

V

H

P

P

F

Y

L

W

D

D

K

R

Q

E

F

V

L

L

E

D

V

L

A

L

M

V

K

S

I

L

K

-

P

-

Q

-

E

E

K

A

Q

G

P

L

K

K

T

R

Y

R

C

H

G

G

V

R

E

D

K
|
K

Y

W

I

V

L

L

R

R

K

A

A

A

F

M

D

-

T

-

P

-

Q

-

Q

A

P

D

Y

A

L

L

P

P

D

A

E

E

V

T

L

V

W

N

R

R

Q

P

K
|
K

E

S

Q

S

F

F

S

S

active site: A70 (≠ N71), G71 (= G72), D310 (≠ T305), Y336 (≠ E332), E370 (vs. gap), K431 (= K438)
binding adenosine monophosphate: V235 (≠ L225), L236 (= L226), S242 (= S232), S260 (= S254), M261 (≠ I255), Y314 (≠ A309), L318 (≠ M313), G335 (= G331), Y336 (≠ E332)
binding adenosine-5'-triphosphate: V235 (≠ L225), L236 (= L226), S237 (= S227), G239 (= G229), D241 (= D231), S242 (= S232), S260 (= S254), M261 (≠ I255), L318 (≠ M313), G335 (= G331), D339 (= D335), K411 (= K414), K431 (= K438)
binding magnesium ion: D241 (= D231), D339 (= D335)
binding pyrophosphate 2-: S237 (= S227), G239 (= G229), D241 (= D231), S242 (= S232), D339 (= D335), K411 (= K414), K431 (= K438)

1mc1A Beta-lactam synthetase with product (dgpc), amp and ppi (see paper)
27% identity, 71% coverage: 69:448/538 of query aligns to 63:437/491 of 1mc1A

query
sites
1mc1A

V

V

H

L

N
x
A

G
|
G

E

E

I

I

Y

Y

N

N

H

R

Q

D

E

E

L

L

R

L

D

-

T

S

V

V

L

L

K

P

S

A

H

G

T

P

F

A

R

-

T

P

H

E

S

G

D

D

S

A

E

E

V

L

I

V

V

L

H

R

L

L

Y

L

E

E

E

R

F

Y

G

D

N

L

E

H

F

A

C

F

H

R

L

L

L

V

D

N

G

G

M

R

F

F

A

A

F

T

V

V

I

R

K

T

G

G

D

D

E

R

F

V

I

L

A

L

G

A

L

T

D

D

P

H

L

A

G

G

V

S

K

V

P

P

L

L

Y

Y

Y

T

G

C

L

V

D

A

E

P

R

-

G

G

R

E

I

V

Y

R

F

A

A

S

S

T

E

E

M

A

K

K

A

A

L

L

A

A

D

-

Q

-

C

-

K

-

T

-

F

-

S

A

T

G

F

F

P

P

-

L

-

A

-

D

-

A

-

R

-

V

-

A

-

G

-

L

P

T

G

G

H

V

Y

Y

Y

Q

T

V

P

P

E

A

T

G

G

A

F

V

V

M

-

D

-

I

-

D

-

L

-

G

-

S

-

G

-

T

-

A

-

V

-

T

-

H

K

R

Y

T

Y

W

K

T

P

P

Q

G

W

L

E

S

D

R

A

R

V

I

T

L

A

P

V

E

G

G

D

E

A

A

D

-

L

V

E

A

A

A

L

V

R

R

Q

A

G

A

L

L

T

E

Q

K

A

A

V

V

E

A

K

Q

R

R

L

V

M

T

-

P

S

G

D

D

V

T

P

P

V

L

G

-

V

V

L
x
V

L

L

S
|
S

G

G

G
|
G

L

I

D
|
D

S
|
S

S

S

L

G

I

V

S

A

V

C

A

A

S

H

R

R

L

A

A

A

K

G

Q

-

R

-

G

-

Q

-

E

E

L

L

H

D

S

T

F

V

S
|
S

I
x
M

G

G

L

T

D

D

A

T

A

S

A

N

P

-

D

E

V

F

V

R

A

E

A

A

R

R

K

A

V

V

A

V

Q

D

F

H

L

L

D

R

T

T

K

R

H

H

H

R

E

E

I

I

Y

T

F

I

T

P

I

T

E

T

Q

E

G

L

I

L

A

A

V

Q

L

L

D

P

K

Y

L

A

I

V

W

W

H

A

L

S

E

E

T

S

Y

V

D

D

V

P

T
x
D

S

I

V

I

R

E

A
x
Y

S

L

T

L

P

P

M

L

Y

T

F

A

L

L

S

Y

E

R

A

A

I

L

T

D

Q

G

K

P

G

E

I

-

K

R

V

R

V

I

L

L

S

T

G
|
G

E
x
Y

G
|
G

A

A

D
|
D

E
x
I

I

P

F

L

G

G

Y

M

L

-

Y

-

F

-

R

-

N

-

A

-

P

-

T

-

E

-

K

-

D

-

F

H

Q

R

K

E

E

D

L

R

I

L

D

P

R

A

V

L

Q

D

K

T

L

V

F

L

T

A

A

H

D
|
D

L

M

L

A

R

T

A

F

D

D

K

G

-

L

-

N

-
x
E

-

M

-

S

-

P

-

V

-

L

S

S

T

T

M

L

A

A

H

-

G

G

L

H

E

W

A

T

R

T

V

H

P

P

F

Y

L

W

D

D

K

R

Q

E

F

V

L

L

E

D

V

L

A

L

M

V

K

S

I

L

K

-

P

-

Q

-

E

E

K

A

Q

G

P

L

K

K

T

R

Y

R

C

H

G

G

V

R

E

D

K
|
K

Y

W

I

V

L

L

R

R

K

A

A

A

F

M

D

-

T

-

P

-

Q

-

Q

A

P

D

Y

A

L

L

P

P

D

A

E

E

V

T

L

V

W

N

R

R

Q

P

K
|
K

E
x
L

Q

G

F
x
V

S

H

D

E

G

G

V

S

G

G

Y

T

S

T

active site: A65 (≠ N71), G66 (= G72), D306 (≠ T305), Y332 (≠ E332), E366 (vs. gap), K427 (= K438)
binding adenosine monophosphate: V231 (≠ L225), S233 (= S227), S238 (= S232), S256 (= S254), M257 (≠ I255), G331 (= G331), K427 (= K438), V430 (≠ F441)
binding magnesium ion: D237 (= D231), D335 (= D335)
binding deoxyguanidinoproclavaminic acid: Y310 (≠ A309), Y332 (≠ E332), G333 (= G333), I336 (≠ E336), D357 (= D368), E366 (vs. gap), K427 (= K438)
binding pyrophosphate 2-: S233 (= S227), G235 (= G229), D237 (= D231), S238 (= S232), D335 (= D335), K407 (= K414), K427 (= K438), L428 (≠ E439)

1mbzA Beta-lactam synthetase with trapped intermediate (see paper)
27% identity, 71% coverage: 69:448/538 of query aligns to 67:442/496 of 1mbzA

query
sites
1mbzA

V

V

H

L

N
x
A

G
|
G

E

E

I

I

Y

Y

N

N

H

R

Q

D

E

E

L

L

R

L

D

-

T

S

V

V

L

L

K

P

S

A

H

G

T

P

F

A

R

-

T

P

H

E

S

G

D

D

S

A

E

E

V

L

I

V

V

L

H

R

L

L

Y

L

E

E

E

R

F

Y

G

D

N

L

E

H

F

A

C

F

H

R

L

L

L

V

D

N

G

G

M

R

F

F

A

A

F

T

V

V

I

R

K

T

G

G

D

D

E

R

F

V

I

L

A

L

G

A

L

T

D

D

P

H

L

A

G

G

V

S

K

V

P

P

L

L

Y

Y

Y

T

G

C

L

V

D

A

E

P

R

-

G

G

R

E

I

V

Y

R

F

A

A

S

S

T

E

E

M

A

K

K

A

A

L

L

A

A

D

A

Q

H

C

G

K

-

T

-

F

-

S

-

T

-

F

F

P

P

-

L

-

A

-

D

-

A

-

R

-

V

-

A

-

G

-

L

P

T

G

G

H

V

Y

Y

Y

Q

T

V

P

P

E

A

T

G

G

A

F

V

V

M

-

D

-

I

-

D

-

L

-

G

-

S

-

G

-

T

-

A

-

V

-

T

-

H

K

R

Y

T

Y

W

K

T

P

P

Q

G

W

L

E

S

D

R

A

R

V

I

T

L

A

P

V

E

G

G

D

E

A

A

D

-

L

V

E

A

A

A

L

V

R

R

Q

A

G

A

L

L

T

E

Q

K

A

A

V

V

E

A

K

Q

R

R

L

V

M

T

-

P

S

G

D

D

V

T

P

P

V

L

G

-

V

V

L
x
V

L
|
L

S
|
S

G

G

G
|
G

L

I

D
|
D

S
|
S

S

S

L

G

I

V

S

A

V

C

A

A

S

H

R

R

L

A

A

A

K

G

Q

-

R

-

G

-

Q

-

E

E

L

L

H

D

S

T

F

V

S
|
S

I
x
M

G

G

L

T

D

D

A

T

A

S

A

N

P

-

D

E

V

F

V

R

A

E

A

A

R

R

K

A

V

V

A

V

Q

D

F

H

L

L

D

R

T

T

K

R

H

H

H

R

E

E

I

I

Y

T

F

I

T

P

I

T

E

T

Q

E

G

L

I

L

A

A

V

Q

L

L

D

P

K

Y

L

A

I

V

W

W

H

A

L

S

E

E

T

S

Y

V

D

D

V

P

T
x
D

S

I

V

I

R

E

A
x
Y

S

L

T

L

P

P

M
x
L

Y

T

F

A

L

L

S

Y

E

R

A

A

I

L

T

D

Q

G

K

P

G

E

I

-

K

R

V

R

V

I

L

L

S

T

G
|
G

E
x
Y

G
|
G

A

A

D
|
D

E
x
I

I

P

F

L

G

G

Y

M

L

-

Y

-

F

-

R

-

N

-

A

-

P

-

T

-

E

-

K

-

D

-

F

H

Q

R

K

E

E

D

L

R

I

L

D

P

R

A

V

L

Q

D

K

T

L

V

F

L

T

A

A

H

D
|
D

L

M

L

A

R

T

A

F

D

D

K

G

-

L

-

N

-
x
E

-

M

-

S

-

P

-

V

-

L

S

S

T

T

M

L

A

A

H

-

G

G

L

H

E

W

A

T

R

T

V

H

P

P

F

Y

L

W

D

D

K

R

Q

E

F

V

L

L

E

D

V

L

A

L

M

V

K

S

I

L

K

-

P

-

Q

-

E

E

K

A

Q

G

P

L

K

K

T

R

Y

R

C

H

G

G

V

R

E

D

K
|
K

Y

W

I

V

L

L

R

R

K

A

A

A

F

M

D

-

T

-

P

-

Q

-

Q

A

P

D

Y

A

L

L

P

P

D

A

E

E

V

T

L

V

W

N

R

R

Q

P

K
|
K

E
x
L

Q
x
G

F
x
V

S

H

D

E

G

G

V

S

G

G

Y

T

S

T

active site: A69 (≠ N71), G70 (= G72), D311 (≠ T305), Y337 (≠ E332), E371 (vs. gap), K432 (= K438)
binding arginine-n-methylcarbonyl phosphoric acid 5'-adenosine ester: V236 (≠ L225), L237 (= L226), S238 (= S227), S243 (= S232), S261 (= S254), M262 (≠ I255), Y315 (≠ A309), L319 (≠ M313), G336 (= G331), Y337 (≠ E332), G338 (= G333), D340 (= D335), I341 (≠ E336), D362 (= D368), E371 (vs. gap), K432 (= K438), G434 (≠ Q440), V435 (≠ F441)
binding magnesium ion: D242 (= D231), D340 (= D335)
binding pyrophosphate 2-: S238 (= S227), G240 (= G229), D242 (= D231), S243 (= S232), D340 (= D335), K412 (= K414), K432 (= K438), L433 (≠ E439)

1jgtB Crystal structure of beta-lactam synthetase (see paper)
27% identity, 69% coverage: 69:438/538 of query aligns to 71:440/500 of 1jgtB

query
sites
1jgtB

V

V

H

L

N
x
A

G
|
G

E

E

I

I

Y

Y

N

N

H

R

Q

D

E

E

L

L

R

L

D

-

T

S

V

V

L

L

K

P

S

A

H

G

T

P

F

A

R

-

T

P

H

E

S

G

D

D

S

A

E

E

V

L

I

V

V

L

H

R

L

L

Y

L

E

E

E

R

F

Y

G

D

N

L

E

H

F

A

C

F

H

R

L

L

L

V

D

N

G

G

M

R

F

F

A

A

F

T

V

V

I

R

K

T

G

G

D

D

E

R

F

V

I

L

A

L

G

A

L

T

D

D

P

H

L

A

G

G

V

S

K

V

P

P

L

L

Y

Y

Y

T

G

C

L

V

D

A

E

P

R

-

G

G

R

E

I

V

Y

R

F

A

A

S

S

T

E

E

M

A

K

K

A

A

L

L

A

A

D

A

Q

H

C

-

K

R

T

D

F

P

S

K

T

G

F

F

P

P

-

L

-

A

-

D

-

A

-

R

-

V

-

A

-

G

-

L

P

T

G

G

H

V

Y

Y

Y

Q

T

V

P

P

E

A

T

G

G

A

F

V

V

M

-

D

-

I

-

D

-

L

-

G

-

S

-

G

-

T

-

A

-

V

-

T

-

H

K

R

Y

T

Y

W

K

T

P

P

Q

G

W

L

E

S

D

R

A

R

V

I

T

L

A

P

V

E

G

G

D

E

A

A

D

-

L

V

E

A

A

A

L

V

R

R

Q

A

G

A

L

L

T

E

Q

K

A

A

V

V

E

A

K

Q

R

R

L

V

M

T

-

P

S

G

D

D

V

T

P

P

V

L

G

-

V

V

L
x
V

L
|
L

S
|
S

G

G

G
|
G

L
x
I

D
|
D

S
|
S

S

S

L

G

I

V

S

A

V

C

A

A

S

H

R

R

L

A

A

A

K

G

Q

-

R

-

G

-

Q

-

E

E

L

L

H

D

S

T

F

V

S
|
S

I
x
M

G

G

L

T

D

D

A

T

A

S

A

N

P

-

D

E

V

F

V

R

A

E

A

A

R

R

K

A

V

V

A

V

Q

D

F

H

L

L

D

R

T

T

K

R

H

H

H

R

E

E

I

I

Y

T

F

I

T

P

I

T

E

T

Q

E

G

L

I

L

A

A

V

Q

L

L

D

P

K

Y

L

A

I

V

W

W

H

A

L

S

E

E

T

S

Y

V

D

D

V

P

T
x
D

S

I

V

I

R

E

A
x
Y

S

L

T

L

P

P

M
x
L

Y

T

F

A

L

L

S

Y

E

R

A

A

I

L

T

D

Q

G

K

P

G

E

I

-

K

R

V

R

V

I

L

L

S

T

G
|
G

E
x
Y

G
|
G

A

A

D
|
D

E
x
I

I

P

F

L

G

G

Y
x
M

L

-

Y

-

F

-

R

-

N

-

A

-

P

-

T

-

E

-

K

-

D

-

F

H

Q

R

K

E

E

D

L

R

I

L

D

P

R

A

V

L

Q

D

K

T

L

V

F

L

T

A

A

H

D
|
D

L

M

L

A

R

T

A

F

D

D

K

G

-

L

-

N

-
x
E

-

M

-

S

-

P

-

V

-

L

S

S

T

T

M

L

A

A

H

-

G

G

L

H

E

W

A

T

R

T

V

H

P

P

F

Y

L

W

D

D

K

R

Q

E

F

V

L

L

E

D

V

L

A

L

M

V

K

S

I

L

K

-

P

-

Q

-

E

E

K

A

Q

G

P

L

K

K

T

R

Y

R

C

H

G

G

V

R

E

D

K
|
K

Y

W

I

V

L

L

R

R

K

A

A

A

F

M

D

-

T

-

P

-

Q

-

Q

A

P

D

Y

A

L

L

P

P

D

A

E

E

V

T

L

V

W

N

R

R

Q

P

K
|
K

active site: A73 (≠ N71), G74 (= G72), D319 (≠ T305), Y345 (≠ E332), E379 (vs. gap), K440 (= K438)
binding diphosphomethylphosphonic acid adenosyl ester: V244 (≠ L225), L245 (= L226), S246 (= S227), G248 (= G229), I249 (≠ L230), D250 (= D231), S251 (= S232), S269 (= S254), M270 (≠ I255), L327 (≠ M313), G344 (= G331), Y345 (≠ E332), D348 (= D335), K420 (= K414), K440 (= K438)
binding n2-(carboxyethyl)-l-arginine: Y323 (≠ A309), Y345 (≠ E332), G346 (= G333), D348 (= D335), I349 (≠ E336), M354 (≠ Y341), D370 (= D368), E379 (vs. gap)
binding magnesium ion: D250 (= D231), D348 (= D335)

1q19A Carbapenam synthetase (see paper)
27% identity, 41% coverage: 222:444/538 of query aligns to 240:448/500 of 1q19A

query
sites
1q19A

V

V

G

G

V

I

L
x
P

L
|
L

S
|
S

G

G

L

L

D
|
D

S
|
S

S

S

L

L

I

V

S

T

S

A

V

L

A

A

S

S

R

R

L

H

A

F

K

K

Q

K

R

-

G

-

Q

-

E

-

L

L

H

N

S

T

F

Y

S
|
S

I
|
I

G

G

L

T

D

E

A

L

A

S

A

-

P

N

D

E

V

F

V

E

A

F

A

S

R

Q

K

Q

V

V

A

A

Q

D

F

A

L

L

D

G

T

T

K

H

H

H

H

Q

E

M

I

K

Y

I

F

L

T

S

I

E

E

T

Q

E

G

V

I

I

A

N

V

G

L

I

D

I

K

E

L

S

I

I

W

Y

H

Y

L

N

E

E

T

I

Y

F

D

D

V

G

T
x
L

S

S

V

A

R
x
E

A

I

S

Q

T

S

P

G

M

L

Y

F

F

N

L

V

S

Y

E

R

A

Q

I

-

T

A

Q

Q

K

G

G

Q

I

V

K

S

V

C

V

M

L

L

S
x
T

G
|
G

E
x
Y

G
|
G

A

S

D
|
D

E
x
L

I

L

F

F

G

G

Y

I

L

L

Y

-

F

-

R

K

N

P

A

G

P

A

T

Q

E

Y

K

D

D

N

F

P

Q

N

K

Q

E

L

L

L

I

A

D

E

R

Q

V

V

Q

Y

K
x
R

L

T

-

R

F

W

T

T

A

G