Structure of PDB 1ulj Chain C Binding Site BS01

Receptor Information
>1ulj Chain C (length=425) Species: 101510 (Rhodococcus jostii RHA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WADADIAELVDERTGRLDPRIYTDEALYEQELERIFGRSWLLMGHETQIP
KAGDFMTNYMGEDPVMVVRQKNGEIRVFLNQCRHRGMRICRADGGNAKSF
TCSYHGWAYDTGGNLVSVPFEEQAFPGLRKEDWGPLQARVETYKGLIFAN
WDADAPDLDTYLGEAKFYMDHMLDRTEAGTEAIPGIQKWVIPCNWKFAAE
QFCSDMYHAGTTSHLSGILAGLTEGIQYRATWGGHGSGFYIGDPNLLLAI
MGPKVTEYWTQGPAAEKASERLGSTERGQQLMAQHMTIFPTCSFLPGINT
IRAWHPRGPNEIEVWAFTVVDADAPEEMKEEYRQQTLRTFSAGGVFEQDD
GENWVEIQQVLRGHKARSRPFNAEMGLGQTDSDNPDYPGTISYVYSEEAA
RGLYTQWVRMMTSPDWAALDATRPA
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 chain1ulj Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ulj Crystal Structure of the Terminal Oxygenase Component of Biphenyl Dioxygenase Derived from Rhodococcus sp. Strain RHA1
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Q217 H224 H230 D378
Binding residue
(residue number reindexed from 1)		Q201 H208 H214 D350
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H121 D221 H224 H230 D378
Catalytic site (residue number reindexed from 1) H105 D205 H208 H214 D350
Enzyme Commision number 1.14.12.18: biphenyl 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005515 protein 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:1ulj, PDBe:1ulj, PDBj:1ulj
PDBsum1ulj
PubMed15342255
UniProtQ53122|BPHA1_RHOJR Biphenyl 2,3-dioxygenase subunit alpha (Gene Name=bphA1)

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