Structure of PDB 7px0 Chain D Binding Site BS01

Receptor Information
>7px0 Chain D (length=1236) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGRITINGTSHEVNLSALPADISLNTFIREYAGLTGTKFMCQEGGCGVCV
CTLTGIHPEGELRTWAVNSCLTLLNTCLGLEVTTSEGLGNKRVGYHAIQQ
RLAKMNGTQCGYCSPGIVMNMYGLLKSKGGKVTMEEVENSFGGNICRCTG
YRPILDAMKSFAVDSNIQVQPKGSQLYPDGSRWSWPVSLGDLFAALQGAV
KEKLPYMLVAGNTAHGVYRRSPDIKAFIDVSGLAELKGHKLSADNSSLTL
GGNLSLSETMELCRQLENTKGFEYLSQVWQHLDWIANVPVRNAGTLAGNL
SIKHAHPEFPSDVFIVLEALDAQVIVQEAVDKQQTVSLASYLGSSMEGKI
IRGLVLRAYPKERFAFDSYKIMPRAQNAHAYVNAAFLVEFTADAKVKSAR
ICFGGIHPEFVHATAIENLIRDKNPFENGLVEKAFGQLSTLLQPDAVLPD
ASPVYRRKLACGLFYKFLLKIAAQRKQGLGSRFVTGGSLLKRPVSSGQQS
FETFQEHYPVTKATEKHEGLIQCSGEATYSNDLPTQHNQLWAAFVIAKKV
GAKVTKVDTQPALDLPGVVAYLDAKDIPGPNYVGPKIRDQFFFPKDEELF
ATGEIKFYGQPVGIILANSNSLANRAAELVKLTYEGGAEEILPSLKAVLD
KVNKRLEQPIKSTIDVLQLEEPFDVSSSGQLDMGLQYHYYMEPQTTVVLP
FEGGLQVYAATQWMDLTQDTIANVLNLKSNDVQVKTRRIGGGYGGKATRC
NLAAAAAALAAHKLNRPIRFVQSLESIMTSLGKRWAFHCDYDFFVQKSGK
ISGIVSRFYEDAGYLANESPIGHTVLLSKNCYEFSDNYKLDGYLVCTDSP
SNTPCRAPGSVEGIAMMENIIEHIAFETGVDPADVRFANLLPAHKMGDMM
PRFLESTKYRERKAEAIAHNKENRWHKRGLGLCIMEYQIGYFGQYPATVA
IYHSDGTVVVSHGGIEMGQGMNTKISQVAAHTLGIPMEQVRIEASDTING
ANSMVTGGAVGSETLCFAVRKACETLNERLKPVREEVKPENWQDLIQEAY
NRKINLIASDQCKQGDMDPYSVCGLCLTEVELDVLTGNYIVGRVDILEDT
GESLNPNVDIGQIEGAFMMGLGYWTSEQVIADPKTGECLTNRTWTYKPPG
AKDIPTDLRIELLPKSPNKAGFMRSKATGEPAICLSIAVAFALQQALQSA
RDDAGVPKSWVTLTAPMTPEHLVLHSGTEPSQFKLN
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 chain7px0 Chain D Residue 1301 [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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PDB7px0 Drosophila melanogaster's Aldehyde Oxidase 1: The First Invertebrate AOX structure
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Q111 C112 G113 C115 C148 C150 M728
Binding residue
(residue number reindexed from 1)		Q109 C110 G111 C113 C146 C148 M691
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.3.8: pyridoxal oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004031 aldehyde oxidase activity
GO:0004732 pyridoxal oxidase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0071949 FAD binding
Biological Process
GO:0042817 pyridoxal metabolic process
Cellular Component
GO:0005777 peroxisome
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7px0, PDBe:7px0, PDBj:7px0
PDBsum7px0
PubMed
UniProtQ9VF53

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