Structure of PDB 3u52 Chain B Binding Site BS05

Receptor Information
>3u52 Chain B (length=493) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKLNLKDKYQYLTRDMAWEPTYQDKKDIFPEEDFEGIKITDWSQWEDPFR
LTMDAYWKYQAEKEKKLYAIFDAFAQNNGHQNISDARYVNALKLFISGIS
PLEHAAFQGYSKVGRQFSGAGARVACQMQAIDELRHSQTQQHAMSHYNKH
FNGLHDGPHMHDRVWYLSVPKSFFDDARSAGPFEFLTAISFSFEYVLTNL
LFVPFMSGAAYNGDMATVTFGFSAQSDEARHMTLGLEVIKFILEQHEDNV
PIVQRWIDKWFWRGFRLLSLVSMMMDYMLPNKVMSWSEAWEVYYEQNGGA
LFKDLERYGIRPPKYQDVANDAKHHLSHQLWTTFYQYCQATNFHTWIPEK
EEMDWMSEKYPDTFDKYYRPRYEYLAKEAAAGRRFYNNTLPQLCQVCQIP
TIFTEKDAPTMLSHRQIEHEGERYHFCSDGCCDIFKHEPEKYIQAWLPVH
QIYQGNCEGGDLETVVQKYYHINIGEDNFDYVGSPDQKHWLSI
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 chain3u52 Chain B Residue 519 [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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PDB3u52 Analysis of Substrate Access to Active Sites in Bacterial Multicomponent Monooxygenase Hydroxylases: X-ray Crystal Structure of Xenon-Pressurized Phenol Hydroxylase from Pseudomonas sp. OX1.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		L107 E108 A111 E138 I194 F198
Binding residue
(residue number reindexed from 1)		L102 E103 A106 E133 I189 F193
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E108 E138 H141 E199 E233 H236
Catalytic site (residue number reindexed from 1) E103 E133 H136 E194 E228 H231
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3u52, PDBe:3u52, PDBj:3u52
PDBsum3u52
PubMed22136180
UniProtQ84AQ2

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