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F16PA_ECOLI_1_332

Fructose-1,6-bisphosphatase class 1 [FBPase class 1 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (F16PA_ECOLI):R: Substrate binding (113:116)
R: Substrate binding (257, 259)
89, 110, 112, 206, 239, 241:243, 269:271, 275
89, 110, 112:116, 206, 239, 241:243, 257, 259, 269:271, 275
Metals (Me):Mg

Full PDB list

2gq1, 2owz, 2ox3, 2q8m, 2qvr (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
E
8
9
D
1
1
0
L
1
1
2
D
1
1
3
G
1
1
4
S
1
1
5
S
1
1
6
N
2
0
6
Y
2
3
9
G
2
4
1
L
2
4
3
Y
2
5
7
Y
2
5
9
K
2
6
9
L
2
7
0
R
2
7
1
E
2
7
5
[1]2gq1.a none . . . . . . . . . . . . . . . . .
[1]2owz.a f6p16 . . . . . . . . . . . . . . . . .
[1]2q8m.a fbp,mg21 . . . . . . . . . . . . . . . . . Mg
[1]2qvr.a fdp20 . . . . . . . . . . . . . . . . . Mg

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

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PDB.ch
A1 Me
E
8
9
D
1
1
0
L
1
1
2
D
1
1
3
G
1
1
4
S
1
1
5
S
1
1
6
N
2
0
6
Y
2
3
9
G
2
4
1
S
2
4
2
L
2
4
3
Y
2
5
7
Y
2
5
9
K
2
6
9
L
2
7
0
R
2
7
1
E
2
7
5
[1]2gq1.a . . . . . . . . . . . . . . . . . .
[1]2owz.a . . . . . . . . . . . . . . . . . .
[1]2q8m.a . . . . . . . . . . . . . . . . . . Mg
[1]2qvr.a . . . . . . . . . . . . . . . . . . Mg

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
2gq1.a is apo
2owz.a:f6p
2q8m.a:fbp,mg
2qvr.a:fdp
[1] 2gq1.a
-
0.4 0.6 0.3
[1] 2owz.a -
0.1
0.4 0.3
[1] 2q8m.a - 0.1
0.3
0.2
[1] 2qvr.a - 0.1 0.3
0.1
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
2gq1.a
2owz.a
2q8m.a
2qvr.a
[1] 2gq1.a
0
.02 .03 .04
[1] 2owz.a .02
0
.02 .02
[1] 2q8m.a .03 .02
0
.03
[1] 2qvr.a .04 .02 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2gq1.a
2owz.a
2q8m.a
2qvr.a
[1] 2gq1.a
0
0.7 0.6 0.7
[1] 2owz.a 0.7
0
0.6 0.2
[1] 2q8m.a 0.6 0.6
0
0.6
[1] 2qvr.a 0.7 0.2 0.6
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.6 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
2gq1.a
2owz.a
2q8m.a
2qvr.a
[1] 2gq1.a
0
1.0 0.8 1.2
[1] 2owz.a 1.0
0
0.8 0.8
[1] 2q8m.a 0.8 0.8
0
1.0
[1] 2qvr.a 1.2 0.8 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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