Structure of PDB 3gzy Chain A Binding Site BS01

Receptor Information
>3gzy Chain A (length=440) Species: 285 (Comamonas testosteroni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWTPDAIRALVDQDNGKLDARIYADQDLYQLELERVFGRSWLMLGHETHI
PKIGDYLTTYMGEDPVIMVRQKDQSIKVFLNQCRHRGMRIVRSDGGNAKA
FTCTYHGWAYDIAGNLVNVPFEKEAFCDKKEGDCGFDKADWGPLQARVET
YKGLVFANWDPEAPDLKTYLSDAMPYMDVMLDRTEAGTEAIGGIQKWVIP
CNWKFAAEQFCSDMYHAGTMSHLSGVLAGLPPEMDLTQIQLSKNGNQFRS
AWGGHGAGWFINDSSILLSVVGPKITQYWTQGPAAEKAARRVPQLPILDM
FGQHMTVFPTCSFLPGINTIRTWHPRGPNEVEVWAFVLVDADAPEDIKEE
FRLQNIRTFNAGGVFEQDDGENWVEIQRVMRGHKAKSTSLCAKMGLNVPN
KNNPAYPGKTAYVYAEEAARGMYHHWSRMMSEPSWDTLKP
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 chain3gzy Chain A Residue 701 [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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PDB3gzy Structural Characterization of Pandoraea pnomenusa B-356 Biphenyl Dioxygenase Reveals Features of Potent Polychlorinated Biphenyl-Degrading Enzymes
Resolution1.62 Å
Binding residue
(original residue number in PDB)		Q226 H233 H239 D386
Binding residue
(residue number reindexed from 1)		Q209 H216 H222 D369
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H123 D230 H233 H239 D386
Catalytic site (residue number reindexed from 1) H106 D213 H216 H222 D369
Enzyme Commision number 1.14.12.18: biphenyl 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0018687 biphenyl 2,3-dioxygenase activity
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
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Biological Process
External links
PDB RCSB:3gzy, PDBe:3gzy, PDBj:3gzy
PDBsum3gzy
PubMed23308114
UniProtQ46372|BPHA_COMTE Biphenyl dioxygenase subunit alpha (Gene Name=bphA)

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