Structure of PDB 6snc Chain H Binding Site BS02

Receptor Information
>6snc Chain H (length=223) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLVESGPGLVQPWGTLSLTCRVSGDSVSNDNYYWAWIRQTPGRELQVIG
TIYYSGTTYYNPSLRNRVTISLDKSVNVVSLRLGSVSAADTAQYYCVRMP
SHGFWSTSFSYWYFDLWGRGHFVAVSWASTKGPSVFPLAPSGTAALGCLV
KDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQ
TYICNVDHKPSNTKVDKKVEPKS
Ligand information
Ligand IDDPV
InChIInChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3
InChIKeyQBHFVMDLPTZDOI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
CACTVS 3.352CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
FormulaC17 H38 N O4 P
Namedodecyl 2-(trimethylammonio)ethyl phosphate;
dodecylphosphocholine
ChEMBLCHEMBL229565
DrugBank
ZINC
PDB chain6snc Chain H Residue 301 [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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PDB6snc Structural Basis for Broad HIV-1 Neutralization by the MPER-Specific Human Broadly Neutralizing Antibody LN01.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		S97 G99 F100
Binding residue
(residue number reindexed from 1)		S101 G103 F104
Annotation score1
External links