Structure of PDB 1wql Chain A Binding Site BS03

Receptor Information
>1wql Chain A (length=436) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWSDEEIKALVDEEKGLLDPRIFSDQDLYEIELERVFARSWLLLGHEGHI
PKAGDYLTTYMGEDPVIVVRQKDRSIKVFLNQCRHRGMRIERSDFGNAKS
FTCTYHGWAYDTAGNLVNVPYEKEAFCDCGFDKADWGPLQARVDTYKGLI
FANWDTEAPDLKTYLSDATPYMDVMLDRTEAVTQVITGMQKTVIPCNWKF
AAEQFCSDMYHAGTMAHLSGVLSSLPPEMDLSQVKLPSSGNQFRAKWGGH
GTGWFNDDFALLQAIMGPKVVDYWTKGPAAERAKERLGKVLPADRMVAQH
MTIFPTCSFLPGINTVRTWHPRGPNEIEVWSFIVVDADAPEDIKEEYRRK
NIFTFNQGGTYEQDDGENWVEVQRGLRGYKARSRPLCAQMGAGVPNKNNP
EFPGKTSYVYSEEAARGFYHHWSRMMSEPSWDTLKS
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain1wql Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wql Crystal Structure of the Terminal Oxygenase Component of Cumene Dioxygenase from Pseudomonas fluorescens IP01
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H234 F378
Binding residue
(residue number reindexed from 1)		H211 F355
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H124 D231 H234 H240 D388
Catalytic site (residue number reindexed from 1) H106 D208 H211 H217 D365
Enzyme Commision number 1.14.12.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0044237 cellular metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1wql, PDBe:1wql, PDBj:1wql
PDBsum1wql
PubMed15774891
UniProtQ51743

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