Structure of PDB 1mfd Chain H Binding Site BS01

Receptor Information
>1mfd Chain H (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQVQQSGTVLARPGASVKMSCKASGYTFTNYWMHWIKQRPGQGLEWIGA
IYPGNSATFYNHKFRAKTKLTAVTSTITAYMELSSLTNEDSAVYYCTRGG
HGYYGDYWGQGASLTVSSAKTTPPSVYPLAPGMVTLGCLVKGYFPEPVTV
TWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPAS
STKVDKKIVPR
Ligand information
Ligand IDMMA
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-VEIUFWFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside
ChEMBLCHEMBL195368
DrugBankDB01979
ZINCZINC000004261920
PDB chain1mfd Chain A Residue 1 [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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PDB1mfd Solution structure of a trisaccharide-antibody complex: comparison of NMR measurements with a crystal structure.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W283 H351
Binding residue
(residue number reindexed from 1)		W33 H101
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.31,Kd=4.9uM
External links