Structure of PDB 3d9d Chain B Binding Site BS03

Receptor Information
>3d9d Chain B (length=431) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDFKLSPSQLEARRHAQAFANTVLTKASAEYSTQKDQLSRFQATRPFYRE
AVRHGLIKAQVPIPLGGTMESLVHESIILEELFAVEPATSITIVATALGL
MPVILCDSPSLQEKFLKPFISGEGEPLASLMHSEPNGTANWLQKGGPGLQ
TTARKVGNEWVISGEKLWPSNSGGWDYKGADLACVVCRVSDDPSKPQDPN
VDPATQIAVLLVTRETIANNKKDAYQILGEPELAGHITTSGPHTRFTEFH
VPHENLLCTPGLKAQGLVETAFAMSAALVGAMAIGTARAAFEEALVFAKS
DTRGGSKHIIEHQSVADKLIDCKIRLETSRLLVWKAVTTLEDEALEWKVK
LEMAMQTKIYTTDVAVECVIDAMKAVGMKSYAKDMSFPRLLNEVMCYPLF
NGGNIGLRRRQMQRVMALEDYEPWAATYGSS
Ligand information
Ligand IDN6C
InChIInChI=1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKeyFEYJIFXFOHFGCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)CCCCCC
OpenEye OEToolkits 1.5.0CCCCCC[N+](=O)[O-]
CACTVS 3.341CCCCCC[N+]([O-])=O
FormulaC6 H13 N O2
Name1-nitrohexane
ChEMBLCHEMBL1234594
DrugBank
ZINCZINC000002031533
PDB chain3d9d Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3d9d Crystal structures of intermediates in the nitroalkane oxidase reaction.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V95 N402
Binding residue
(residue number reindexed from 1)		V94 N401
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H133 S134 S276 N402 R415
Catalytic site (residue number reindexed from 1) H132 S133 S275 N401 R414
Enzyme Commision number 1.7.3.1: nitroalkane oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003995 acyl-CoA dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660 flavin adenine dinucleotide binding
GO:0052664 nitroalkane oxidase activity
GO:0071949 FAD binding
Biological Process
GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase
GO:0046359 butyrate catabolic process
GO:0098754 detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3d9d, PDBe:3d9d, PDBj:3d9d
PDBsum3d9d
PubMed19265437
UniProtQ8X1D8|NAO_FUSOX Nitroalkane oxidase

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