Structure of PDB 1kwx Chain B Binding Site BS01

Receptor Information
>1kwx Chain B (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 IDMFB
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-XUVCUMPTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(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 beta-L-fucopyranoside;
BETA-L-METHYL-FUCOSE;
methyl 6-deoxy-beta-L-galactopyranoside;
methyl beta-L-fucoside;
methyl L-fucoside;
methyl fucoside
ChEMBLCHEMBL1234283
DrugBankDB03194
ZINCZINC000004283898
PDB chain1kwx Chain B Residue 601 [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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PDB1kwx Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E185 N187 E193 N205
Binding residue
(residue number reindexed from 1)		E113 N115 E121 N133
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1kwx, PDBe:1kwx, PDBj:1kwx
PDBsum1kwx
PubMed11850428
UniProtP19999|MBL1_RAT Mannose-binding protein A (Gene Name=Mbl1)

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