Receptor
PDB id Resolution Class Description Source Keywords
2Y69 1.95 Å EC: 1.9.3.1 BOVINE HEART CYTOCHROME C OXIDASE RE-REFINED WITH MOLECULAR BOS TAURUS ELECTRON TRANSPORT COMPLEX IV PROTON PUMPS MEMBRANE PROTE
Ref.: A COMBINED QUANTUM CHEMICAL AND CRYSTALLOGRAPHIC ST THE OXIDIZED BINUCLEAR CENTER OF CYTOCHROME C OXIDA BIOCHIM.BIOPHYS.ACTA V.1807 769 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CHD A:1517;
C:1265;
G:1085;
N:1517;
P:1265;
T:1085;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
CU A:517;
N:517;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
CUA B:228;
O:228;
Part of Protein;
Part of Protein;
none;
none;
submit data
127.092 Cu2 [Cu][...
DMU M:1044;
Z:1043;
Invalid;
Invalid;
none;
none;
submit data
482.562 C22 H42 O11 CCCCC...
HEA A:515;
A:516;
N:515;
N:516;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
852.837 C49 H56 Fe N4 O6 Cc1c2...
MG A:1516;
N:1516;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
OXY A:1515;
N:1515;
Invalid;
Invalid;
none;
none;
submit data
31.999 O2 O=O
PEK C:1262;
P:1262;
Invalid;
Invalid;
none;
none;
submit data
768.055 C43 H78 N O8 P CCCCC...
PGV C:1263;
C:1264;
P:1263;
P:1264;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
749.007 C40 H77 O10 P CCCCC...
ZN F:1097;
S:1097;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y69 1.95 Å EC: 1.9.3.1 BOVINE HEART CYTOCHROME C OXIDASE RE-REFINED WITH MOLECULAR BOS TAURUS ELECTRON TRANSPORT COMPLEX IV PROTON PUMPS MEMBRANE PROTE
Ref.: A COMBINED QUANTUM CHEMICAL AND CRYSTALLOGRAPHIC ST THE OXIDIZED BINUCLEAR CENTER OF CYTOCHROME C OXIDA BIOCHIM.BIOPHYS.ACTA V.1807 769 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2Y69 - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2Y69 - CHD C24 H40 O5 C[C@H](CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
3 2Y69 - CHD C24 H40 O5 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2Y69; Ligand: CHD; 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: 2y69.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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