Structure of PDB 4laj Chain B Binding Site BS02

Receptor Information
>4laj Chain B (length=341) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVKLENVTENF
NMWKNNMVEQMHEDIISLWDQSLKPCVKLTGGSVITQACPKVSFEPIPIH
YCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLA
EEEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNGDIRQAHCNLSKTQW
ENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNST
QLFTWNDTRKLTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSN
ITGLLLTRDGGNGTEIFRPGGGDMRDNWRSELYKYKVVKIE
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain4laj Chain B Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4laj Heavy Chain-Only IgG2b Llama Antibody Effects Near-Pan HIV-1 Neutralization by Recognizing a CD4-Induced Epitope That Includes Elements of Coreceptor- and CD4-Binding Sites.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		D57 P214 R252
Binding residue
(residue number reindexed from 1)		D14 P98 R136
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4laj, PDBe:4laj, PDBj:4laj
PDBsum4laj
PubMed23843638
UniProtP35961|ENV_HV1Y2 Envelope glycoprotein gp160 (Gene Name=env)

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