SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF3737 FitnessBrowser__psRCH2:GFF3737 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)

P26276 Phosphomannomutase/phosphoglucomutase; PMM / PGM; EC 5.4.2.2; EC 5.4.2.8 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see 10 papers)
86% identity, 54% coverage: 395:857/857 of query aligns to 1:463/463 of P26276

query
sites
P26276

M
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M

S

S

S

T

A

A

K

K

A

A

P

P

N

T

L

L

P

P

A

A

S

S

I

I

F

F

R
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R

A

A

Y
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Y

D

D

I

I

R
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R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

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G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

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V

Q

K

H

Q

L

L

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I

Q

Q

G

G

L

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D

D

S

C

G

G

C

C

D

Q

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V

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S

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D

I

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G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
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S

H

H

N
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N

P

P

D

D

Y

Y

N

N

G

G

F

F

K

K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

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N

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E

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Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

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I

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E

N

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L

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A

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A

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M

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D

C

C

G

G

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G

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V

A

A

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I

A

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R

Q

M

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I

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E

A

A

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L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

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K

V

V

K

K

S

A

E

E

K

N

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A

D

D

L

L

G

G

L

L

A

A

F

F

D
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D

G

G

D
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D

G

G

D
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D

R
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R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

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P

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D

R
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R

L

L

M

M

L

L

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F

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A

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K

D

D

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V

S

S

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R

N

N

P

P

G

G

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A

D

D

I

I

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D

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K
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K

C

C

T

T

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R

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I

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S

G

G

Y

Y

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G

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P

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V

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M

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W

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K

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G

G

H
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H

S

S

L

L

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I

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K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E
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E

M
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M

S
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S

G
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G

H
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H

I

V

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F

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K

E

E

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R

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F

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G

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D

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G

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A

G

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N

L

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I

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T

T

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L

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D

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G

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V

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R

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V

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D

Y

Y

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P

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K

G

G

W

W

G

G

L

L

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V

R
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R

A
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A

S
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S

N
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N

T
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T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

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L

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F

F

M1 (= M395) modified: Initiator methionine, Removed
R15 (= R409) mutation to A: KM halves, decreases processivity as dissociation of G1,6P intermediate increases 25-fold.
Y17 (= Y411) binding ; binding
R20 (= R414) mutation to A: No phosphoglucomutase activity.
S108 (= S502) binding via phosphate group; modified: Phosphoserine; mutation S->A,V: About 5% activity, still subject to substrate inhibition and requires G1,6P as an activator; phosphorylation occurs at a different site.; mutation to C: KM for G1P unchanged, kcat decreases 24-fold; G1,6P stimulates reaction by 2-3 orders of magnitude. No stable protein phosphorylation detected, altered ligation of metal residue.
N110 (= N504) mutation to A: KM halves, decreases processivity as dissociation of G1,6P intermediate increases 30-fold.
D242 (= D636) binding
D244 (= D638) binding
D246 (= D640) binding
R247 (= R641) mutation to A: Small reduction in KM, small increase in dissociation of G1,6P intermediate.
R262 (= R656) mutation to A: Increases KM 2-fold, decreases kcat 9-fold for G1P. Alters flexibility of the hinge region.
K285 (= K679) binding
H308 (= H702) binding ; binding
E325 (= E719) mutation to A: Reduces KM and Vmax approximately 2-fold.
EMSGH 325:329 (= EMSGH 719:723) binding ; binding
H329 (= H723) mutation to A: No phosphoglucomutase activity using G1P as substrate, protein is less easily phosphorylated, no significant change in structure.
P368 (= P762) mutation to G: Increases KM 2-fold, decreases kcat 6-fold for G1P. Alters flexibility of the hinge region, structure is less compact.
R421 (= R815) mutation to C: Loss of phosphomannomutase activity, very low phosphoglucomutase activity.
RASNT 421:425 (= RASNT 815:819) binding ; binding

Q02E40 Phosphomannomutase/phosphoglucomutase; PMM / PGM; EC 5.4.2.2; EC 5.4.2.8 from Pseudomonas aeruginosa (strain UCBPP-PA14) (see paper)
86% identity, 54% coverage: 395:857/857 of query aligns to 1:463/463 of Q02E40

query
sites
Q02E40

M

M

S

S

S

T

A

A

K

K

A

A

P

P

N

T

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y

Y

D

D

I

I

R

R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H

H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K

K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

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G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D

D

G

G

D

D

G

G

D

D

R

R

V

V

G

G

V

V

T

T

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N

A

T

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M

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D

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M

L

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F

A

A

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D

D

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G

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D

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C

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M

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K

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G

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A

A

G

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G

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F

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K

E

E

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F

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G

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F

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G

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Y

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S

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A

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L

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S

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Q

D

D

K

Q

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R

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D

A

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E

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H

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V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

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V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

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L

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Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

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V

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R

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V

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D

Y

Y

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P

K

K

G

G

W

W

G

G

L

L

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V

R

R

A

A

S

S

N

N

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

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V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

S108 (= S502) active site, Non-phosphorylated intermediate; modified: Phosphoserine

1k2yX Crystal structure of phosphomannomutase/phosphoglucomutase s108a mutant from p. Aeruginosa (see paper)
86% identity, 54% coverage: 399:857/857 of query aligns to 1:459/459 of 1k2yX

query
sites
1k2yX

K

K

A

A

P

P

N

T

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y

Y

D

D

I

I

R

R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S

A

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K

K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K

K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T

T

G

G

H

H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E

E

M

M

S

S

G

G

H

H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R

R

A

A

S

S

N

N

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: H105 (= H503), D238 (= D636), D240 (= D638), D242 (= D640), R243 (= R641), D336 (= D734)
binding zinc ion: D238 (= D636), D240 (= D638), D242 (= D640)

1pcjX Enzyme-ligand complex of p. Aeruginosa pmm/pgm (see paper)
86% identity, 53% coverage: 400:857/857 of query aligns to 1:458/458 of 1pcjX

query
sites
1pcjX

A

A

P

P

N

T

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y
|
Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K
|
K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K

K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T
|
T

G
|
G

H
|
H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E
|
E

M

M

S
|
S

G

G

H
|
H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R
|
R

A

A

S
|
S

N
|
N

T
|
T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: R15 (= R414), S103 (= S502), H104 (= H503), K113 (= K512), D237 (= D636), D239 (= D638), D241 (= D640), R242 (= R641), H324 (= H723), D335 (= D734)
binding 1-O-phosphono-alpha-D-mannopyranose: Y12 (= Y411), R15 (= R414), S103 (= S502), T301 (= T700), G302 (= G701), H303 (= H702), E320 (= E719), S322 (= S721), H324 (= H723), R416 (= R815), S418 (= S817), N419 (= N818), T420 (= T819)
binding zinc ion: S103 (= S502), D237 (= D636), D239 (= D638), D241 (= D640)

4il8A Crystal structure of an h329a mutant of p. Aeruginosa pmm/pgm (see paper)
86% identity, 54% coverage: 399:857/857 of query aligns to 1:459/459 of 4il8A

query
sites
4il8A

K

K

A

A

P

P

N

T

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y

Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K
|
K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K

K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T

T

G

G

H

H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E

E

M

M

S

S

G

G

H
x
A

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R

R

A

A

S

S

N

N

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: R16 (= R414), S104 (= S502), H105 (= H503), K114 (= K512), D238 (= D636), D240 (= D638), D242 (= D640), R243 (= R641), A325 (≠ H723), D336 (= D734)
binding magnesium ion: S104 (= S502), D238 (= D636), D240 (= D638), D242 (= D640)

2h5aX Complex of the enzyme pmm/pgm with xylose 1-phosphate (see paper)
86% identity, 53% coverage: 403:857/857 of query aligns to 1:455/455 of 2h5aX

query
sites
2h5aX

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y
|
Y

D

D

I

I

R

R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K

K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K

K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T
|
T

G
|
G

H
|
H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E
|
E

M

M

S
|
S

G

G

H
|
H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R
|
R

A

A

S
|
S

N
|
N

T
|
T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: H101 (= H503), D234 (= D636), D236 (= D638), D238 (= D640), R239 (= R641), D332 (= D734)
binding 1-O-phosphono-alpha-D-xylopyranose: Y9 (= Y411), T298 (= T700), G299 (= G701), H300 (= H702), E317 (= E719), S319 (= S721), H321 (= H723), R413 (= R815), S415 (= S817), N416 (= N818), T417 (= T819)
binding zinc ion: S100 (= S502), D234 (= D636), D236 (= D638), D238 (= D640)

2h4lX Complex of pmm/pgm with ribose 1-phosphate (see paper)
86% identity, 53% coverage: 403:857/857 of query aligns to 1:455/455 of 2h4lX

query
sites
2h4lX

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y
|
Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K

K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K
|
K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T
|
T

G
|
G

H

H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E
|
E

M

M

S
|
S

G

G

H

H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R
|
R

A

A

S
|
S

N
|
N

T
|
T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: H101 (= H503), D234 (= D636), D236 (= D638), D238 (= D640), R239 (= R641), D332 (= D734)
binding 1-O-phosphono-alpha-D-ribofuranose: Y9 (= Y411), R12 (= R414), S100 (= S502), K277 (= K679), T298 (= T700), G299 (= G701), E317 (= E719), S319 (= S721), R413 (= R815), S415 (= S817), N416 (= N818), T417 (= T819)
binding zinc ion: S100 (= S502), D234 (= D636), D236 (= D638), D238 (= D640)

2fkfA Phosphomannomutase/phosphoglucomutase from pseudomonas aeruginosa with alpha-d-glucose 1,6-bisphosphate bound (see paper)
86% identity, 53% coverage: 403:857/857 of query aligns to 1:455/455 of 2fkfA

query
sites
2fkfA

L

L

P

P

A

A

S

S

I

I

F

F

R
|
R

A

A

Y

Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N
|
N

P

P

D

D

Y

Y

N

N

G

G

F

F

K
|
K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K

K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T

T

G

G

H

H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E

E

M

M

S
|
S

G

G

H
|
H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R
|
R

A

A

S
|
S

N
|
N

T
|
T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: R12 (= R414), S100 (= S502), H101 (= H503), K110 (= K512), D234 (= D636), D236 (= D638), D238 (= D640), R239 (= R641), H321 (= H723), D332 (= D734)
binding 1,6-di-O-phosphono-alpha-D-glucopyranose: R7 (= R409), R12 (= R414), H101 (= H503), N102 (= N504), S319 (= S721), R413 (= R815), S415 (= S817), N416 (= N818), T417 (= T819)
binding zinc ion: S100 (= S502), D234 (= D636), D236 (= D638), D238 (= D640)

1pcmX Enzyme-ligand complex of p. Aeruginosa pmm/pgm (see paper)
86% identity, 53% coverage: 403:857/857 of query aligns to 1:455/455 of 1pcmX

query
sites
1pcmX

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y
|
Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K
|
K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F

D

D

V

V

K
|
K

C

C

T

T

R

R

L

L

T

I

P

A

L

L

I

I

S

S

G

G

Y

Y

G

G

R

R

P

P

V

V

M

M

W

W

K

K

T
|
T

G
|
G

H
|
H

S

S

L

L

I

I

K

K

M

M

K

K

E

E

S

T

G

G

A

A

L

L

A

A

G

G

E
|
E

M

M

S
|
S

G

G

H
|
H

I

V

F

F

K

K

E

E

R

R

W

W

F

F

G

G

F

F

D
|
D

D

D

G

G

I

I

Y

Y

S

S

A

A

R

R

L

L

E

E

I

I

L

L

S

S

Q

Q

D

D

K

Q

R

R

D

D

A

S

E

E

Q

H

V

V

F

F

A

S

A

A

F

F

P

P

C

S

D

D

I

I

S

S

T

T

P

P

E

E

I

I

N

N

I

I

T

T

V

V

T

T

E

E

E

D

S

S

K

K

F

F

T

A

I

I

M

I

D

E

A

A

L

L

Q

Q

R

R

D

D

A

A

Q

Q

W

W

G

G

E

E

A

G

N

N

L

I

I

T

T

T

L

L

D

D

G

G

V

V

R

R

V

V

D

D

Y

Y

P

P

K

K

G

G

W

W

G

G

L

L

I

V

R
|
R

A

A

S
|
S

N
|
N

T
|
T

T

T

P

P

V

V

L

L

V

V

L

L

R

R

F

F

E

E

A

A

D

D

S

T

E

E

L

L

S

E

R

R

I

I

Q

K

D

T

V

V

F

F

R

R

A

N

Q

Q

L

L

L

K

N

A

V

V

A

D

P

S

D

S

L

L

K

P

L

V

P

P

F

F

active site: R12 (= R414), S100 (= S502), H101 (= H503), K110 (= K512), D234 (= D636), D236 (= D638), D238 (= D640), R239 (= R641), H321 (= H723), D332 (= D734)
binding 6-O-phosphono-alpha-D-mannopyranose: Y9 (= Y411), S100 (= S502), K277 (= K679), T298 (= T700), G299 (= G701), H300 (= H702), E317 (= E719), S319 (= S721), H321 (= H723), R413 (= R815), S415 (= S817), N416 (= N818), T417 (= T819)
binding zinc ion: S100 (= S502), D234 (= D636), D236 (= D638), D238 (= D640)

1p5gX Enzyme-ligand complex of p. Aeruginosa pmm/pgm (see paper)
86% identity, 53% coverage: 403:857/857 of query aligns to 1:455/455 of 1p5gX

query
sites
1p5gX

L

L

P

P

A

A

S

S

I

I

F

F

R

R

A

A

Y
|
Y

D

D

I

I

R
|
R

G

G

V

V

G

G

D

D

S

T

L

L

T

T

T

A

E

E

T

T

A

A

Y

Y

W

W

V

I

G

G

R

R

A

A

I

I

G

G

S

S

E

E

S

S

L

L

A

A

K

R

G

G

E

E

P

P

N

C

V

V

S

A

V

V

G

G

R

R

D

D

G

G

R

R

L

L

S

S

G

G

P

P

E

E

L

L

V

V

Q

K

H

Q

L

L

I

I

Q

Q

G

G

L

L

L

V

D

D

S

C

G

G

C

C

D

Q

V

V

S

S

D

D

I

V

G

G

M

M

V

V

P

P

T

T

P

P

V

V

L

L

Y

Y

A

A

N

N

I

V

L

L

A

E

G

G

K

K

S

S

G

G

V

V

M

M

L

L

T

T

G

G

S
|
S

H
|
H

N

N

P

P

D

D

Y

Y

N

N

G

G

F

F

K
|
K

I

I

V

V

I

V

A

A

G

G

D

E

T

T

L

L

A

A

N

N

E

E

Q

Q

I

I

Q

Q

T

A

L

L

R

R

K

E

R

R

I

I

E

E

N

K

N

N

D

D

L

L

S

A

S

S

G

G

V

V

G

G

K

S

V

V

E

E

Q

Q

V

V

D

D

V

I

L

L

E

P

R

R

Y

Y

F

F

Q

K

Q

Q

I

I

R

R

S

D

D

D

I

I

A

A

M

M

A

A

K

K

P

P

M

M

K

K

V

V

D

D

C

C

G

G

N

N

G

G

V

V

A

A

G

G

V

V

I

I

A

A

P

P

R

Q

M

L

I

I

E

E

A

A

L

L

G

G

C

C

T

S

V

V

I

I

P

P

L

L

Y

Y

C

C

D

E

V

V

D

D

G

G

N

N

F

F

P

P

N

N

H

H

P

P

D

D

P

P

G

G

K

K

P

P

E

E

N

N

L

L

V

K

D

D

L

L

I

I

A

A

K

K

V

V

K

K

S

A

E

E

K

N

A

A

D

D

L

L

G

G

L

L

A

A

F

F

D
|
D

G

G

D
|
D

G

G

D
|
D

R
|
R

V

V

G

G

V

V

T

T

N

N

A

T

G

G

T

T

M

I

I

I

Y

Y

A

P

D

D

R

R

L

L

M

M

L

L

F

F

A

A

K

K

D

D

V

V

S

S

R

R

N

N

P

P

G

G

A

A

D

D

I

I

F

F