Structure of PDB 6mu3 Chain H Binding Site BS02

Receptor Information
>6mu3 Chain H (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLVESGGGLVKAGGSLILSCGVSNFRISAHTMNWVRRVPGGGLEWVAS
ISTSSTYRDYADAVKGRFTVSRDDLEDFVYLQMHKMRVEDTAIYYCARKG
SDRLSDNDPFDAWGPGTVVTVSPASTKGPSVFPLAPSGGTAALGCLVKDY
FPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYI
CNVNHKPSNTKVDKKVEP
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 chain6mu3 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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PDB6mu3 Dissection of the carbohydrate specificity of the broadly neutralizing anti-HIV-1 antibody 2G12.
Resolution2.327 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=6.15,Kd=0.7uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6mu3, PDBe:6mu3, PDBj:6mu3
PDBsum6mu3
PubMed16174734
UniProtP0DOX5|IGG1_HUMAN Immunoglobulin gamma-1 heavy chain

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