Structure of PDB 6msy Chain H Binding Site BS01

Receptor Information
>6msy Chain H (length=213) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLVESGGGLVKAGGSLILSCGVSNFRISAHTMNWVRRVPGGGLEWVAS
ISTSSTYRDYADAVKGRFTVSRDDLEDFVYLQMHKMRVEDTAIYYCARKG
SDRLSDNDPFDAWGPGTVVTVSPASTKGPSVFPLAPGGTAALGCLVKDYF
PEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSQTYICNVNH
KPSNTKVDKKVEP
Ligand information
Ligand IDMAN
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6msy Chain A Residue 4 [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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PDB6msy Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Resolution1.999 Å
Binding residue
(original residue number in PDB)		A31 H32 T33 K95 G96 S100A D100B N100C D100D
Binding residue
(residue number reindexed from 1)		A31 H32 T33 K99 G100 S105 D106 N107 D108
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.00,Kd=0.1uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6msy, PDBe:6msy, PDBj:6msy
PDBsum6msy
PubMed16174734
UniProtP0DOX5|IGG1_HUMAN Immunoglobulin gamma-1 heavy chain

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