Structure of PDB 1ww9 Chain A Binding Site BS02

Receptor Information
>1ww9 Chain A (length=389) Species: 213804 (Janthinobacterium sp. J3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MANVDEAILKRVKGWAPYVDAKLGFRNHWYPVMFSKEINEGEPKTLKLLG
ENLLVNRIDGKLYCLKDRCLHRGVQLSVKVECKTKSTITCWYHAWTYRWE
DGVLCDILTNPTSAQIGRQKLKTYPVQEAKGCVFIYLGDGDPPPLARDTP
PNFLDDDMEILGKNQIIKSNWRLAVENGFDPSHIYIHKDSILVKDNDLAL
PLGFAPGGDRKQQTRVVDDDVVGRKGVYDLIGEHGVPVFEGTIGGEVVRE
GAYGEKIVANDISIWLPGVLKVNPFPNPDMMQFEWYVPIDENTHYYFQTL
GKPCANDEERKKYEQEFESKWKPMALEGFNNDDIWAREAMVDFYADDKGW
VNEILFESDEAIVAWRKLASEHNQGIQTQAHVSGLEHHH
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 chain1ww9 Chain A Residue 401 [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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PDB1ww9 Structure of the terminal oxygenase component of angular dioxygenase, carbazole 1,9a-dioxygenase
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C69 H71 R72 C90 Y92 H93 W95
Binding residue
(residue number reindexed from 1)		C69 H71 R72 C90 Y92 H93 W95
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.12.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1ww9, PDBe:1ww9, PDBj:1ww9
PDBsum1ww9
PubMed16005887
UniProtQ84II6

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