Structure of PDB 3bu7 Chain B Binding Site BS02

Receptor Information
>3bu7 Chain B (length=358) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVRDTPELEAYYDDLAKIETGALWTVANDIEPWEPTPKSAPVHWKWSDLR
REVLRAIDLVRPEDAGRRVVYLRNPQRKDVSAACGWLFSGIQTMKAGERA
GAHRHAASALRFIMEGSGAYTIVDGHKVELGANDFVLTPNGTWHEHGILE
SGTECIWQDGLDIPLTNCLEANFYEVHPNDYQTTDIPLNDSPLTYGGPAL
LPQLDKWDKPYSPLLKYSWEPTYEALLNYAKASDGSPYDGLILRYTNPQT
GGHPMLTMGASMQMLRPGEHTKAHRHTGNVIYNVAKGQGYSIVGGKRFDW
SEHDIFCVPAWTWHEHCNTQERDDACLFSFNDFPVMEKLGFWAEQALEDN
GGHQIVAD
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3bu7 Chain B Residue 500 [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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PDB3bu7 Crystal structure and mutagenic analysis of GDOsp, a gentisate 1,2-dioxygenase from Silicibacter pomeroyi.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H290 H292 H330
Binding residue
(residue number reindexed from 1)		H274 H276 H314
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.4: gentisate 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047922 gentisate 1,2-dioxygenase activity
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3bu7, PDBe:3bu7, PDBj:3bu7
PDBsum3bu7
PubMed18505738
UniProtQ5LLB1

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