Receptor
PDB id Resolution Class Description Source Keywords
3VHZ 2.3 Å EC: 4.2.1.71 CRYSTAL STRUCTURE OF THE TRANS ISOMER OF THE L93A MUTANT OF BACTERIORHODOPSIN HALOBACTERIUM SEVEN TRANSMEMBRANE HELICES CELL MEMBRANE RETINAL PROTEINDRIVEN PROTON PUMP PROTON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF THE O INTERMEDIATE OF THE LEU9 MUTANT OF BACTERIORHODOPSIN PROTEINS V. 80 2384 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
L2P GLC MAN SGA A:270;
Valid;
none;
submit data n/a n/a n/a n/a
RET A:250;
Invalid;
none;
submit data
284.436 C20 H28 O CC1=C...
SOG A:430;
Valid;
none;
submit data
308.434 C14 H28 O5 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VHZ 2.3 Å EC: 4.2.1.71 CRYSTAL STRUCTURE OF THE TRANS ISOMER OF THE L93A MUTANT OF BACTERIORHODOPSIN HALOBACTERIUM SEVEN TRANSMEMBRANE HELICES CELL MEMBRANE RETINAL PROTEINDRIVEN PROTON PUMP PROTON TRANSPORT
Ref.: CRYSTAL STRUCTURE OF THE O INTERMEDIATE OF THE LEU9 MUTANT OF BACTERIORHODOPSIN PROTEINS V. 80 2384 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3VI0 - SOG C14 H28 O5 S CCCCCCCCS[....
2 3VHZ - SOG C14 H28 O5 S CCCCCCCCS[....
3 2EI4 - 22B C50 H76 O4 CC(=C/C=C/....
4 2Z55 - 22B C50 H76 O4 CC(=C/C=C/....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L2P GLC MAN SGA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: SOG; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 SOG 1 1
2 HTG 0.977273 1
3 10M 0.634921 0.911111
4 PTQ 0.47541 0.744186
5 MSX MAN 0.457627 0.75
6 BOG 0.45 0.883721
7 HSJ 0.45 0.883721
8 BNG 0.45 0.883721
9 B7G 0.433333 0.883721
10 KGM 0.433333 0.883721
11 AFO 0.423729 0.8
12 JZR 0.416667 0.860465
13 GLC HEX 0.416667 0.860465
14 BHG 0.416667 0.860465
15 IPT 0.415094 0.72093
16 1LL 0.411765 0.744186
17 TDG 0.411765 0.744186
18 YDR 0.409836 0.727273
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VHZ; Ligand: L2P GLC MAN SGA; 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: 3vhz.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3VHZ; Ligand: SOG; 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: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3VHZ; Ligand: SOG; 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: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3VHZ; Ligand: SOG; 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: 3vhz.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
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