Structure of PDB 2pcp Chain C Binding Site BS01

Receptor Information
>2pcp Chain C (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVLMTQTPLSLPVSLGDQASISCRSSQTIVHSNGNTYLEWYLQKPGQSPK
LLIYKVTNRFSGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGTHAP
YTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNR
Ligand information
Ligand ID1PC
InChIInChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
InChIKeyJTJMJGYZQZDUJJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04c1ccccc1C3(N2CCCCC2)CCCCC3
OpenEye OEToolkits 1.5.0c1ccc(cc1)C2(CCCCC2)N3CCCCC3
CACTVS 3.341C1CCN(CC1)C2(CCCCC2)c3ccccc3
FormulaC17 H25 N
Name1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE;
PHENCYCLIDINE
ChEMBLCHEMBL275528
DrugBankDB03575
ZINCZINC000000968311
PDB chain2pcp Chain C Residue 212 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2pcp Crystal structure of monoclonal 6B5 Fab complexed with phencyclidine.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y32 F89 G91 Y96
Binding residue
(residue number reindexed from 1)		Y37 F94 G96 Y101
Annotation score1
Binding affinityMOAD: Kd=2nM
External links