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BSUHB_ARCFU_1_252

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

Composition of the binding site

Protein chains homodimer [domain annotation]
A1 (BSUHB_ARCFU):R: Substrate binding (85:87)
67, 82, 84, 155, 156, 170:172, 175, 191, 195:197, 200
67, 82, 84:87, 155, 156, 170:172, 175, 191, 195:197, 200
A2 (BSUHB_ARCFU):165, 167165, 167
Metals (Me):Ca/Mn

Full PDB list

1lbv, 1lbw, 1lbx, 1lby, 1lbz (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 A2 Me
L
8
4
D
8
5
G
8
6
T
8
7
Y
1
5
5
Y
1
5
6
G
1
7
0
S
1
7
1
A
1
7
2
R
1
9
1
L
1
9
6
D
2
0
0
R
1
6
5
R
1
6
7
[1]1lbw.a none . . . . . . . . . . . . . .
[1]1lbx.b ipd16 . . . . . . . . . . . . . . Ca
[1]1lby.b f6p16 . . . . . . . . . . . . . . Mn
[1]1lbz.a fbp20 . . . . . . . . . . . . . . Ca

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

[download in TSV format]
   
PDB.ch
A1 A2 Me
E
6
7
D
8
2
L
8
4
D
8
5
G
8
6
T
8
7
Y
1
5
5
Y
1
5
6
G
1
7
0
S
1
7
1
A
1
7
2
E
1
7
5
R
1
9
1
M
1
9
5
L
1
9
6
R
1
9
7
D
2
0
0
R
1
6
5
R
1
6
7
[1]1lbw.a . . . . . . . . . . . . . . . . . . .
[1]1lbx.b . . . . . . . . . . . . . . . . . . . Ca
[1]1lby.b . . . . . . . . . . . . . . . . . . . Mn
[1]1lbz.a . . . . . . . . . . . . . . . . . . . Ca

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
1lbw.a is apo
1lbx.b:ipd
1lby.b:f6p
1lbz.a:fbp
[1] 1lbw.a
-
0.2 0.3 0.1
[1] 1lbx.b -
0.1
0.3 0
[1] 1lby.b - 0.1
0.4
0.1
[1] 1lbz.a - 0.7 0.8
0.2
[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
1lbw.a
1lbx.b
1lby.b
1lbz.a
[1] 1lbw.a
0
.01 .01 .03
[1] 1lbx.b .01
0
.01 .03
[1] 1lby.b .01 .01
0
.02
[1] 1lbz.a .03 .03 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 1.0 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
1lbw.a
1lbx.b
1lby.b
1lbz.a
[1] 1lbw.a
0
0.5 0.5 0.5
[1] 1lbx.b 0.5
0
0.5 0.5
[1] 1lby.b 0.5 0.5
0
0.4
[1] 1lbz.a 0.5 0.5 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.5 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
1lbw.a
1lbx.b
1lby.b
1lbz.a
[1] 1lbw.a
0
1.3 1.4 1.1
[1] 1lbx.b 1.3
0
0.7 1.0
[1] 1lby.b 1.4 0.7
0
1.0
[1] 1lbz.a 1.1 1.0 1.0
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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