Structure of PDB 1kww Chain C Binding Site BS01

Receptor Information
>1kww Chain C (length=149) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIEVKLANMEAEINTLKSKLELTNKLHAFSMGKKSGKKFFVTNHERMPFS
KVKALCSELRGTVAIPRNAEENKAIQEVAKTSAFLGITDEVTEGQFMYVT
GGRLTYSNWKKDEPNDHGSGEDCVTIVDNGLWNDISCQASHTAVCEFPA
Ligand information
Ligand IDMFU
InChIInChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
InChIKeyOHWCAVRRXKJCRB-CXNFULCWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)OC)O)O)O
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC7 H14 O5
Namemethyl alpha-L-fucopyranoside;
ALPHA-L-METHYL-FUCOSE;
methyl 6-deoxy-alpha-L-galactopyranoside;
methyl alpha-L-fucoside;
methyl L-fucoside;
methyl fucoside
ChEMBLCHEMBL1234282
DrugBankDB03879
ZINCZINC000002509839
PDB chain1kww Chain C Residue 701 [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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PDB1kww Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E185 N187 H189 E193 N205
Binding residue
(residue number reindexed from 1)		E113 N115 H117 E121 N133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1kww, PDBe:1kww, PDBj:1kww
PDBsum1kww
PubMed11850428
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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