Structure of PDB 6kbq Chain A Binding Site BS03

Receptor Information
>6kbq Chain A (length=339) Species: 5322 (Pleurotus ostreatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCKITATPSQFQPALLNASKWIWTGENPIPGGSNIISTRPFRKNITAPCG
KCSVCATIVVASDDAHTFYVNGVRIGTGAGFRQGQALFVALQPTWNLFAI
AGQNLVANSPAGIMASILVHFSDGTSETFVTDESWKTLRAAPPENFQLPS
TNDSNWPSAAVQGAYQNSVWGPPVLPPVLPLRGSNWIWTSDNVNGAAPVG
SRAFRKTVNQCTKVAVCATVLIAADDRYTLYVNGATVGSGSSYTVADAYT
IPNLHPTFNTFAINATNGGGPAGVIATILITYSDGSNETVVTDASWKAIQ
TIPQGFQPPLIDEFGWESAKIIGAFGVAPWGAGMVIPSA
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain6kbq Chain A Residue 409 [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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PDB6kbq Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry.
Resolution2.299 Å
Binding residue
(original residue number in PDB)		D97 D98 V140 S143 P144
Binding residue
(residue number reindexed from 1)		D63 D64 V106 S109 P110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links