Structure of PDB 1ulj Chain C Binding Site BS02

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 IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1ulj Chain C 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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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)		C98 H100 R101 C118 Y120 H121 W123
Binding residue
(residue number reindexed from 1)		C82 H84 R85 C102 Y104 H105 W107
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

View graph for
Molecular Function
View graph for
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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