Receptor
PDB id Resolution Class Description Source Keywords
4RSZ 2.19 Å NON-ENZYME: OTHER THE X-RAY STRUCTURE OF THE PRIMARY ADDUCT FORMED IN THE REAC BETWEEN CISPLATIN AND CYTOCHROME C EQUUS CABALLUS ELECTRON TRANSPORT
Ref.: THE X-RAY STRUCTURE OF THE PRIMARY ADDUCTS FORMED I REACTION BETWEEN CISPLATIN AND CYTOCHROME C. CHEM.COMMUN.(CAMB.) V. 51 2559 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 F:202;
B:202;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
NO3 B:204;
C:205;
A:203;
F:205;
C:204;
B:205;
D:204;
C:203;
E:203;
D:203;
F:204;
E:204;
B:206;
E:205;
C:202;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.005 N O3 [N+](...
HEM B:201;
E:201;
A:201;
D:201;
C:201;
F:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
CPT F:203;
D:202;
A:202;
B:203;
E:202;
 Valid;
Valid;
Valid;
Valid;
Invalid;
 Atoms found LESS than expected: % Diff = 0.4;
Atoms found LESS than expected: % Diff = 0.2;
Atoms found LESS than expected: % Diff = 0.4;
Atoms found LESS than expected: % Diff = 0.2;
none;
 submit data
300.045 Cl2 H6 N2 Pt [NH3]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RSZ 2.19 Å NON-ENZYME: OTHER THE X-RAY STRUCTURE OF THE PRIMARY ADDUCT FORMED IN THE REAC BETWEEN CISPLATIN AND CYTOCHROME C EQUUS CABALLUS ELECTRON TRANSPORT
Ref.: THE X-RAY STRUCTURE OF THE PRIMARY ADDUCTS FORMED I REACTION BETWEEN CISPLATIN AND CYTOCHROME C. CHEM.COMMUN.(CAMB.) V. 51 2559 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6GD6 - EVB C56 H48 O32 S8 c1c(cc2c(c....
2 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
3 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
4 6S8Y - L0T C82 H44 N16 O34 S8 CC(=O)Nc1c....
5 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6RSJ - EVB C56 H48 O32 S8 c1c(cc2c(c....
7 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
8 6RSI - EVB C56 H48 O32 S8 c1c(cc2c(c....
9 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
10 6RSL - EVB C56 H48 O32 S8 c1c(cc2c(c....
11 6RSK - EVB C56 H48 O32 S8 c1c(cc2c(c....
12 6SUY - LVT C36 H32 O24 S4 c1c(cc2c(c....
13 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6GD6 - EVB C56 H48 O32 S8 c1c(cc2c(c....
2 5KLU - 6UZ C23 H42 O11 C=CCCCCCCC....
3 5T7H - ZE7 C12 H24 O C1CCC(CC1)....
4 6S8Y - L0T C82 H44 N16 O34 S8 CC(=O)Nc1c....
5 6GD7 - EVB C56 H48 O32 S8 c1c(cc2c(c....
6 6RSJ - EVB C56 H48 O32 S8 c1c(cc2c(c....
7 6GD8 - EVB C56 H48 O32 S8 c1c(cc2c(c....
8 6RSI - EVB C56 H48 O32 S8 c1c(cc2c(c....
9 6EGZ - B4X C82 H132 O42 S4 COCCOCCOCC....
10 6RSL - EVB C56 H48 O32 S8 c1c(cc2c(c....
11 6RSK - EVB C56 H48 O32 S8 c1c(cc2c(c....
12 6SUY - LVT C36 H32 O24 S4 c1c(cc2c(c....
13 4RSZ - CPT Cl2 H6 N2 Pt [NH3][Pt](....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CPT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CPT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: CPT; Similar ligands found: 14
No: Ligand Similarity coefficient
1 73M 0.9963
2 TCV 0.9295
3 AF3 0.9198
4 CP2 0.9074
5 KCS 0.9058
6 VN4 0.9023
7 BRP 0.8953
8 1BP 0.8847
9 MCH 0.8837
10 DTZ 0.8735
11 BEF 0.8700
12 DCE 0.8687
13 61G 0.8638
14 OSM 0.8587
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4rsz.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4rsz.bio6) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4rsz.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4rsz.bio7) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4rsz.bio7) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4rsz.bio7) has 5 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4rsz.bio7) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4rsz.bio7) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4rsz.bio4) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4RSZ; Ligand: CPT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4rsz.bio5) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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