Receptor
PDB id Resolution Class Description Source Keywords
2V95 1.93 Å NON-ENZYME: TRANSPORT STRUCTURE OF CORTICOSTEROID-BINDING GLOBULIN IN COMPLEX WITH CORTISOL RATTUS NORVEGICUS TRANSPORT PROTEIN CBG RCL SERPIN SECRETED TRANSPORT GLYCOPROTEIN LIPID-BINDING GLUCOCORTICOIDS STEROID-BINDING STEROID TRANSPORTER CORTICOSTEROID-BINDING GLOBULIN TRANSPORT PROTEIN
Ref.: CORTICOSTEROID-BINDING GLOBULIN: STRUCTURAL BASIS FOR STEROID TRANSPORT AND PROTEINASE-TRIGGERED RELEASE J.BIOL.CHEM. V. 282 29594 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCY A:1375;
Valid;
none;
submit data
362.46 C21 H30 O5 C[C@]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V95 1.93 Å NON-ENZYME: TRANSPORT STRUCTURE OF CORTICOSTEROID-BINDING GLOBULIN IN COMPLEX WITH CORTISOL RATTUS NORVEGICUS TRANSPORT PROTEIN CBG RCL SERPIN SECRETED TRANSPORT GLYCOPROTEIN LIPID-BINDING GLUCOCORTICOIDS STEROID-BINDING STEROID TRANSPORTER CORTICOSTEROID-BINDING GLOBULIN TRANSPORT PROTEIN
Ref.: CORTICOSTEROID-BINDING GLOBULIN: STRUCTURAL BASIS FOR STEROID TRANSPORT AND PROTEINASE-TRIGGERED RELEASE J.BIOL.CHEM. V. 282 29594 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2V95 - HCY C21 H30 O5 C[C@]12CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2VDY - HCY C21 H30 O5 C[C@]12CCC....
2 2V95 - HCY C21 H30 O5 C[C@]12CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4PYW - ACE THR THR ALA ILE NH2 n/a n/a
2 2VDY - HCY C21 H30 O5 C[C@]12CCC....
3 2V95 - HCY C21 H30 O5 C[C@]12CCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HCY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HCY 1 1
2 TUA 0.576471 1
3 C0R 0.551724 0.933333
4 AS4 0.544444 0.911111
5 ZK5 0.451613 0.918367
Similar Ligands (3D)
Ligand no: 1; Ligand: HCY; Similar ligands found: 33
No: Ligand Similarity coefficient
1 PDN 0.9942
2 DEX 0.9695
3 1CA 0.9666
4 STR 0.9594
5 PLO 0.9503
6 TUV 0.9481
7 CI2 0.9445
8 3G6 0.9402
9 TUS 0.9238
10 30Q 0.9081
11 1N7 0.9029
12 TES 0.8999
13 FIT 0.8978
14 3T5 0.8959
15 ASD 0.8955
16 DHT 0.8945
17 1TA 0.8937
18 BDT 0.8919
19 ANB 0.8918
20 R18 0.8904
21 FFA 0.8835
22 AND 0.8830
23 NOG 0.8817
24 NDR 0.8793
25 AOI 0.8759
26 5SD 0.8747
27 AOM 0.8745
28 8W5 0.8730
29 AOX 0.8725
30 CA4 0.8684
31 ANO 0.8655
32 SNL 0.8579
33 4OA 0.8552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V95; Ligand: HCY; 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: 2v95.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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