Structure of PDB 3gkq Chain F Binding Site BS01

Receptor Information
>3gkq Chain F (length=373) Species: 164608 (Novosphingobium sp. KA1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGIAERRTRAWAPYIDAKLGFRNHWYPVRLSAEVAEASPVPVQLLGEKVL
LNRVDGVVHAIADRCLHRGVTLSDKVECYSKATISCWYHGWTYRWDNGKL
VDILTNPTSVQIGRHALKTYPVREEKGLVFLFVGDQEPHDLAEDVPPGFL
DADLAVHGQHRVVDANWRMGVENGFDAGHVFIHKSSILLDGNDIALPLGF
APGDPEQLTRSVTGEGAPKGVFDLLGEHSVPIFEATIEGQPAIQGHMGSK
MVAISISVWLPGVLKVDPFPDPTLTQFEWYVPIDEGHHLYLQMLGRRVGS
EEEARSFEAEFREKWVELALNGFNDDDILARRSMEPFYADDRGWREEVLF
ESDRAIIEWRRLASQYNRGIQTR
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 chain3gkq Chain F Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gkq Specific interaction via putidaredoxin-type ferredoxin in carbazole 1,9a-dioxygenase from Novosphingobium sp. KA1
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H186 H190 D334
Binding residue
(residue number reindexed from 1)		H179 H183 D327
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:3gkq, PDBe:3gkq, PDBj:3gkq
PDBsum3gkq
PubMed
UniProtQ2PFA6

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