Receptor
PDB id Resolution Class Description Source Keywords
1MZ9 1.7 Å NON-ENZYME: BINDING STORAGE FUNCTION OF COMP:THE CRYSTAL STRUCTURE OF THE COILED-COIL DOMAIN IN COMPLEX WITH VITAMIN D3 MUS MUSCULUS PENTAMERIC COILED-COIL DOMAIN PROTEIN BINDING
Ref.: STORAGE FUNCTION OF CARTILAGE OLIGOMERIC MATRIX PROTEIN: THE CRYSTAL STRUCTURE OF THE COILED-COIL DOMAIN IN COMPLEX WITH VITAMIN D(3). EMBO J. V. 21 5960 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
VDY A:1002;
D:1001;
 Valid;
Valid;
 none;
none;
 submit data
400.637 C27 H44 O2 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V2Q 2.2 Å NON-ENZYME: BINDING COMPCC IN COMPLEX WITH FATTY ACIDS MUS MUSCULUS COILED COIL PALMITIC ACID STORAGE PROTEIN BINDING
Ref.: THE PENTAMERIC CHANNEL OF COMPCC IN COMPLEX WITH DI FATTY ACIDS. PLOS ONE V. 7 48130 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 3V2Q Kd = 0.51 uM PLM C16 H32 O2 CCCCCCCCCC....
2 1MZ9 - VDY C27 H44 O2 C[C@H](CCC....
3 3V2P Kd = 0.44 uM STE C18 H36 O2 CCCCCCCCCC....
4 3V2N Kd = 0.8 uM MYR C14 H28 O2 CCCCCCCCCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 3V2Q Kd = 0.51 uM PLM C16 H32 O2 CCCCCCCCCC....
2 1MZ9 - VDY C27 H44 O2 C[C@H](CCC....
3 3V2P Kd = 0.44 uM STE C18 H36 O2 CCCCCCCCCC....
4 3V2N Kd = 0.8 uM MYR C14 H28 O2 CCCCCCCCCC....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3V2Q Kd = 0.51 uM PLM C16 H32 O2 CCCCCCCCCC....
2 1MZ9 - VDY C27 H44 O2 C[C@H](CCC....
3 3V2P Kd = 0.44 uM STE C18 H36 O2 CCCCCCCCCC....
4 3V2N Kd = 0.8 uM MYR C14 H28 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: VDY; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 VDY 1 1
2 VD3 0.78481 0.921053
3 VDX 0.712644 0.926829
4 VDZ 0.694118 0.926829
5 YSV 0.694118 0.926829
6 MVD 0.677778 0.926829
7 VD2 0.674419 0.902439
8 C33 0.642105 0.904762
9 O1C 0.635417 0.863636
10 C3O 0.628866 0.826087
11 OCC 0.616162 0.808511
12 AYT 0.582418 1
13 YS3 0.566667 0.902439
14 YS2 0.555556 0.840909
15 BIV 0.541667 0.926829
16 AKX 0.528846 0.860465
17 B0B 0.520833 1
18 YSD 0.515789 0.857143
19 AYK 0.5 0.72549
20 M7E 0.490741 0.649123
21 VD1 0.472527 0.878049
22 ZNE 0.464286 0.698113
23 TX5 0.463918 0.833333
24 8BO 0.462963 0.822222
25 9RO 0.462963 0.822222
26 G72 0.457944 0.787234
27 H97 0.457944 0.787234
28 8BL 0.453704 0.840909
29 TEJ 0.443396 0.782609
30 YA1 0.442308 0.904762
31 7ZU 0.431373 0.878049
32 JC1 0.424528 0.822222
33 8J3 0.419643 0.837209
34 8J0 0.419643 0.837209
35 YI3 0.419048 0.880952
36 KH1 0.418182 0.822222
37 MC9 0.417476 0.833333
38 91W 0.415094 0.8
39 YI4 0.411215 0.840909
40 EB1 0.409091 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: VDY; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V2Q; Ligand: PLM; 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: 3v2q.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V2Q; Ligand: PLM; 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: 3v2q.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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