Structure of PDB 4r4f Chain A Binding Site BS02

Receptor Information
>4r4f Chain A (length=340) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEVKLENVTENFN
MWKNNMVEQMHEDIISLWDQSLKPCVKLTGGSVITQACPKVSFEPIPIHY
CAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAE
EEIVIRSENFTNNAKTIIVQLNESVVINCTRPNNDIRQAHCNLSKTQWEN
TLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQL
FTWNDTNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGL
LLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIE
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain4r4f Chain A Residue 508 [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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PDB4r4f Structural Definition of an Antibody-Dependent Cellular Cytotoxicity Response Implicated in Reduced Risk for HIV-1 Infection.
Resolution3.514 Å
Binding residue
(original residue number in PDB)		T278 R456 G458 G459
Binding residue
(residue number reindexed from 1)		T161 R304 G306 G307
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4r4f, PDBe:4r4f, PDBj:4r4f
PDBsum4r4f
PubMed25165110
UniProtP35961|ENV_HV1Y2 Envelope glycoprotein gp160 (Gene Name=env)

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