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Receptor
PDB id Resolution Class Description Source Keywords
1ccw 1.6 Å EC: 5.4.99.1 STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUT CLOSTRIDIUM COCHLEARIUM CLOSTRIDIUM COCHLEARIUM GLUTAMATE MUTASE COENZYME B12 RADICAL REACTION TIM-BARRELROSSMAN-FOLD ISOMERASE
Ref.: GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM: THE OF A COENZYME B12-DEPENDENT ENZYME PROVIDES NEW MEC INSIGHTS STRUCTURE FOLD.DES. V. 7 891 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CNC A:800;
C:800;
Part of Protein;
Part of Protein;
none;
none;
submit data
1355.36 C63 H88 Co N14 O14 P Cc1cc...
TAR B:900;
D:900;
Valid;
Valid;
none;
none;
Ki > 10 mM
150.087 C4 H6 O6 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CCW 1.6 Å EC: 5.4.99.1 STRUCTURE OF THE COENZYME B12 DEPENDENT ENZYME GLUTAMATE MUT CLOSTRIDIUM COCHLEARIUM CLOSTRIDIUM COCHLEARIUM GLUTAMATE MUTASE COENZYME B12 RADICAL REACTION TIM-BARRELROSSMAN-FOLD ISOMERASE
Ref.: GLUTAMATE MUTASE FROM CLOSTRIDIUM COCHLEARIUM: THE OF A COENZYME B12-DEPENDENT ENZYME PROVIDES NEW MEC INSIGHTS STRUCTURE FOLD.DES. V. 7 891 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I9C - 5AD C10 H13 N5 O3 C[C@@H]1[C....
2 1CB7 Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
3 1CCW Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I9C - 5AD C10 H13 N5 O3 C[C@@H]1[C....
2 1CB7 Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
3 1CCW Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I9C - 5AD C10 H13 N5 O3 C[C@@H]1[C....
2 1CB7 Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
3 1CCW Ki > 10 mM TAR C4 H6 O6 [C@H]([C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TAR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CCW; Ligand: TAR; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 1ccw.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4S28 SAH 5.83942
2 4S28 AIR 5.83942
3 5KVS 6XR 6.56934
4 2VL1 GLY GLY 8.0292
5 1XXR MAN 8.69565
6 5G6U TRP 12.4088
7 4R3U 5AD 40.8759
8 2XIQ 5AD 45.2555
Pocket No.: 2; Query (leader) PDB : 1CCW; Ligand: TAR; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1ccw.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5TQZ GLC 4
2 2D5X L35 13.6986
3 2HYQ MAN MAN 23.7705
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