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BSUHB_METJA_1_252

Fructose-1,6-bisphosphatase/inositol-1-monophosphatase [Inositol monophosphatase superfamily. FBPase class 4 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (BSUHB_METJA):R: Substrate binding (84:86)
38, 65, 81, 83, 174, 175, 194, 196, 198, 201
38, 65, 81, 83:86, 174, 175, 194, 196, 198, 201
Metals (Me):Ca/Mn

Full PDB list

1dk4, 1g0h, 1g0i (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 Me
E
6
5
D
8
1
I
8
3
D
8
4
G
8
5
S
8
6
F
1
7
5
R
1
9
4
K
1
9
6
R
1
9
8
D
2
0
1
[1]1g0h.b ipd16 . . . . . . . . . . . Ca
[1]1g0i.b none . . . . . . . . . . . Mn

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
D
3
8
E
6
5
D
8
1
I
8
3
D
8
4
G
8
5
S
8
6
A
1
7
4
F
1
7
5
R
1
9
4
K
1
9
6
R
1
9
8
D
2
0
1
[1]1g0h.b . . . . . . . . . . . . . Ca
[1]1g0i.b . . . . . . . . . . . . . Mn

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
1g0h.b:ipd
1g0i.b is apo
[1] 1g0h.b
0
-
[1] 1g0i.b 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
1g0h.b
1g0i.b
[1] 1g0h.b
0
.01
[1] 1g0i.b .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.6 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
1g0h.b
1g0i.b
[1] 1g0h.b
0
0.8
[1] 1g0i.b 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 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
1g0h.b
1g0i.b
[1] 1g0h.b
0
1.1
[1] 1g0i.b 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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