Structure of PDB 3b3r Chain A Binding Site BS02

Receptor Information
>3b3r Chain A (length=503) Species: 74576 (Streptomyces sp. SA-COO) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SADNGGYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGN
IFCGMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQ
MSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANS
MLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQRE
AAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTI
RQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARD
TGTLPNLNSEVGAGWGPNGNIMTARANHMWNPTGAHQSSIPALGIDAWDN
SDSSVFAQIAPMPAGLETWVSLYLAITKNPQRGTFVYDAATDRAKLNWTR
DQNAPAVNAAKALFDRINKANGTIYRYDLFGTQLKAFADDFCYQPLGGCV
LGKATDDYGRVAGYKNLYVTDGSLIPGSVGVNPFVTITALAERNVERIIK
QDV
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 chain3b3r Chain A Residue 512 [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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PDB3b3r Distortion of flavin geometry is linked to ligand binding in cholesterol oxidase
Resolution0.98 Å
Binding residue
(original residue number in PDB)		G120 P344 Y446
Binding residue
(residue number reindexed from 1)		G117 P341 Y443
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q361 Q447 N485
Catalytic site (residue number reindexed from 1) Q358 Q444 N482
Enzyme Commision number 1.1.3.6: cholesterol oxidase.
5.3.3.1: steroid Delta-isomerase.
Gene Ontology
Molecular Function
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:3b3r, PDBe:3b3r, PDBj:3b3r
PDBsum3b3r
PubMed18029419
UniProtP12676|CHOD_STRS0 Cholesterol oxidase (Gene Name=choA)

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