Structure of PDB 6cm3 Chain P Binding Site BS01
Receptor Information
>6cm3 Chain P (length=131) Species:
9606
(Homo sapiens) [
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QIHLVQSGTEVKKPGSSVTVSCKAYGVNTFGLYAVNWVRQAPGQSLEYIG
QIWRWKSSASHHFRGRVLISAVDLTGSSPPISSLEIKNLTSDDTAVYFCT
TTSTYDKWSGLHHDGVMAFSSWGQGTLISVS
Ligand information
Ligand ID
BMA
InChI
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKey
WQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
beta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINC
ZINC000003830679
PDB chain
6cm3 Chain Y Residue 3 [
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Receptor-Ligand Complex Structure
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PDB
6cm3
Partially Open HIV-1 Envelope Structures Exhibit Conformational Changes Relevant for Coreceptor Binding and Fusion.
Resolution
3.54 Å
Binding residue
(original residue number in PDB)
S70 A71
Binding residue
(residue number reindexed from 1)
S70 A71
Annotation score
4
External links
PDB
RCSB:6cm3
,
PDBe:6cm3
,
PDBj:6cm3
PDBsum
6cm3
PubMed
30308160
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