Structure of PDB 1rdj Chain 1 Binding Site BS01
Receptor Information
>1rdj Chain 1 (length=111) Species:
10117
(Rattus rattus) [
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KYFMSSVRRMPLNRAKALCSELQGTVATPRNAEENRAIQNVAKDVAFLGI
TDQRTENVFEDLTGNRVRYTNWNEGEPNNVGSGENCVVLLTNGKWNDVPC
SDSFLVVCEFS
Ligand information
Ligand ID
MFB
InChI
InChI=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
InChIKey
OHWCAVRRXKJCRB-XUVCUMPTSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O
OpenEye OEToolkits 1.5.0
CC1C(C(C(C(O1)OC)O)O)O
ACDLabs 10.04
OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341
CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341
CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
Formula
C7 H14 O5
Name
methyl beta-L-fucopyranoside;
BETA-L-METHYL-FUCOSE;
methyl 6-deoxy-beta-L-galactopyranoside;
methyl beta-L-fucoside;
methyl L-fucoside;
methyl fucoside
ChEMBL
CHEMBL1234283
DrugBank
DB03194
ZINC
ZINC000004283898
PDB chain
1rdj Chain 1 Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
1rdj
Structural analysis of monosaccharide recognition by rat liver mannose-binding protein.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
E190 N192 E198 N210
Binding residue
(residue number reindexed from 1)
E76 N78 E84 N96
Annotation score
1
Binding affinity
MOAD
: Ki=21.7mM
PDBbind-CN
: -logKd/Ki=1.66,Ki=21.7mM
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:1rdj
,
PDBe:1rdj
,
PDBj:1rdj
PDBsum
1rdj
PubMed
8557671
UniProt
P08661
|MBL2_RAT Mannose-binding protein C (Gene Name=Mbl2)
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