Structure of PDB 4xc1 Chain H Binding Site BS02
Receptor Information
>4xc1 Chain H (length=220) Species:
9606
(Homo sapiens) [
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QVQLVQSGAEVKRPGSSVTVSCKASGGSFSTYALSWVRQAPGRGLEWMGG
VIPLLTITNYAPRFQGRITITADRSTSTAYLELNSLRPEDTAVYYCAREG
TTGWGWLGKPIGAFAHWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVK
DYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQT
YICNVNHKPSNTKVDKKVEP
Ligand information
Ligand ID
G3P
InChI
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKey
AWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C(C(COP(=O)(O)O)O)O
CACTVS 3.385
OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01
O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6
C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385
OC[CH](O)CO[P](O)(O)=O
Formula
C3 H9 O6 P
Name
SN-GLYCEROL-3-PHOSPHATE
ChEMBL
CHEMBL1232920
DrugBank
DB02515
ZINC
ZINC000003830896
PDB chain
4xc1 Chain H Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4xc1
Crystallographic Identification of Lipid as an Integral Component of the Epitope of HIV Broadly Neutralizing Antibody 4E10.
Resolution
1.63 Å
Binding residue
(original residue number in PDB)
G27 S28 F29 S30 S76
Binding residue
(residue number reindexed from 1)
G27 S28 F29 S30 S77
Annotation score
4
External links
PDB
RCSB:4xc1
,
PDBe:4xc1
,
PDBj:4xc1
PDBsum
4xc1
PubMed
26777395
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