Structure of PDB 7ook Chain C Binding Site BS01

Receptor Information
>7ook Chain C (length=373) Species: 10658 (Enterobacteria phage PRD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAALRNQQAMAANLQARQIVLQQSYPVIQQVETQTFDPANRSVFDVTPAN
VGIVKGFLVKVTAAITNNHATEAVALTDFGPANLVQRVIYYDPDNQRHTE
TSGWHLHFVNTAKQGAPFLSSMVTDSPIKYGDVMNVIDAPATIAAGATGE
LTMYYWVPLAYSETDLTGAVLANVPQSKQRLKLEFANNNTAFAAVGANPL
EAIYQGAGAADCEFEEISYTVYQSYLDQLPVGQNGYILPLIDLSTLYNLE
NSAQAGLTPNVDFVVQYANLYRYLSTIAVFDNGGSFNAGTDINYLSQRTA
NFSDTRKLDPKTWAAQTRRRIATDFPKGVYYCDNRDKPIYTLQYGNVGFV
VNPKTVNQNARLLMGYEYFTSRT
Ligand information
Ligand IDZ80
InChIInChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyZPEIMTDSQAKGNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
OpenEye OEToolkits 1.7.0CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl
FormulaC17 H19 Cl N2 S
Name3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine;
Chlorpromazine
ChEMBLCHEMBL71
DrugBankDB00477
ZINCZINC000000044027
PDB chain7ook Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ook The X-ray crystal structure of P3, the major coat protein of the lipid-containing bacteriophage PRD1, at 1.65 A resolution.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		L69 W167 E174
Binding residue
(residue number reindexed from 1)		L58 W156 E163
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:7ook, PDBe:7ook, PDBj:7ook
PDBsum7ook
PubMed
UniProtP22535|CAPSD_BPPRD Major capsid protein P3 (Gene Name=III)

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