Structure of PDB 6p2a Chain C Binding Site BS02

Receptor Information
>6p2a Chain C (length=146) Species: 10665,1124849 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSGDETKTVEGNGTILVKGNVTIIVEGNADITVKGDATTLVEGNQTNTVN
GNLSWKVAGTVDWDVGGDWTEKMASMSSKGNVTHEGNYNQLGNYTVQGNV
GIQGAFSQFGGAGSVEGGWTIDNIRYLGHRHGGVQSGGSKTDTPSA
Ligand information
Ligand IDELA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKeyZQPPMHVWECSIRJ-MDZDMXLPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCCC/C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C\CCCCCCCC(=O)O
CACTVS 3.341CCCCCCCC/C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)O
FormulaC18 H34 O2
Name9-OCTADECENOIC ACID
ChEMBLCHEMBL460657
DrugBankDB04224
ZINCZINC000008217338
PDB chain6p2a Chain A Residue 703 [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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PDB6p2a Structure and Biophysical Properties of a Triple-Stranded Beta-Helix Comprising the Central Spike of Bacteriophage T4.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I504 I512
Binding residue
(residue number reindexed from 1)		I23 I31
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
External links
PDB RCSB:6p2a, PDBe:6p2a, PDBj:6p2a
PDBsum6p2a
PubMed
UniProtG9IA38;
P16009|NEEDL_BPT4 Pre-baseplate central spike protein Gp5 (Gene Name=5)

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