Structure of PDB 5cey Chain D Binding Site BS01

Receptor Information
>5cey Chain D (length=225) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLQESGPGLVKPSETLSVTCIVSGGSISNYYWTWIRQSPGKGLEWIGYI
SDRETTTYNPSLKSRVVISRDTSKNQLSLKLNSVTAADTAIYYCATARRG
QRIYGVVSFGEFFYYYYMDVWGKGTAVTVSSASTKGPSVFPLAPSGTAAL
GCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSS
LGTQTYICNVNHKPSNTKVDKKVEP
Ligand information
Ligand IDPE7
InChIInChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2
InChIKeyACMBXVJDKVNCGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCCOCCOCCO)CCOCCS
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCS)O
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCS
FormulaC14 H30 O7 S
Name1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL
ChEMBL
DrugBankDB02404
ZINCZINC000005828797
PDB chain5cey Chain D 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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PDB5cey Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans.
Resolution2.387 Å
Binding residue
(original residue number in PDB)		R66 K81 N82A
Binding residue
(residue number reindexed from 1)		R65 K80 N82
Annotation score1
External links