Structure of PDB 7ll2 Chain J Binding Site BS01
Receptor Information
>7ll2 Chain J (length=217) Species:
9606
(Homo sapiens) [
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DIQMTQSPSTLSASVGDRVDITCRASQSISRWLAWYQQKPGKAPKVLIYE
ASLLANGVPSRFSGHFNGRESATDFTLTISSLQPDDVATYYCQHYMADPR
FGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQ
WKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVT
HQGLSSPVTKSFNRGEC
Ligand information
Ligand ID
MAN
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-PQMKYFCFSA-N
SMILES
Software
SMILES
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
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([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
alpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBL
CHEMBL365590
DrugBank
ZINC
ZINC000003860903
PDB chain
7ll2 Chain e Residue 4 [
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Receptor-Ligand Complex Structure
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PDB
7ll2
Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies.
Resolution
3.73 Å
Binding residue
(original residue number in PDB)
A93 D94
Binding residue
(residue number reindexed from 1)
A97 D98
Annotation score
4
External links
PDB
RCSB:7ll2
,
PDBe:7ll2
,
PDBj:7ll2
PDBsum
7ll2
PubMed
34731616
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