Structure of PDB 2ddh Chain A Binding Site BS02

Receptor Information
>2ddh Chain A (length=622) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNPDLRKERASATFNPELITHILDGSPENTRRRREIENLILNDPDFQHED
YNFLTRSQRYEVAVKKSATMVKKMREYGISDPEEIMWFKNSVHRGHPEPL
DLHLGMFLPTLLQATAEQQERFFMPAWNLEITGTYAQTEMGHGTHLRGLE
TTATYDPKTQEFILNSPTVTSIKWWPGGLGKTSNHAIVLAQLITQGECYG
LHAFVVPIREIGTHKPLPGITVGDIGPKFGYEEMDNGYLKMDNYRIPREN
MLMKYAQVKPDGTYVKPLMVFVRSFLVGNAAQSLSKACTIAIRYSAVRRQ
SEIKQSEPEPQILDFQTQQYKLFPLLATAYAFHFVGRYMKETYLRSELPE
LHALTAGLKAFTTWTANAGIEECRMACGGHGYSHSSGIPNIYVTFTPACT
FEGENTVMMLQTARFLMKIYDQVRSGKLVGGMVSYLNDLPSVDINSLEGL
TEAYKLRAARLVEIAAKNLQTHVSHRKSKEVAWNLTSVDLVRASEAHCHY
VVVKVFSDKLPKIQDKAVQAVLRNLCLLYSLYGISQKGGDFLEGSIITGA
QLSQVNARILELLTLIRPNAVALVDAFDFKDMTLGSVLGRYDGNVYENLF
EWAKKSPLNKTEVHESYHKHLK
Ligand information
Ligand IDHXD
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
InChIKeyMUCMKTPAZLSKTL-LLVKDONJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCC(CC(=O)O)O
CACTVS 3.341CCCCCCCCC[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC[C@H](CC(=O)O)O
ACDLabs 10.04O=C(O)CC(O)CCCCCCCCC
CACTVS 3.341CCCCCCCCC[C@@H](O)CC(O)=O
FormulaC12 H24 O3
Name(3R)-3-HYDROXYDODECANOIC ACID;
3-OH-DODECANOATE
ChEMBLCHEMBL1233457
DrugBankDB07930
ZINCZINC000016051927
PDB chain2ddh Chain A Residue 900 [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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PDB2ddh Three-Dimensional Structure of Rat-Liver Acyl-CoA Oxidase in Complex with a Fatty Acid: Insights into Substrate-Recognition and Reactivity toward Molecular Oxygen.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		D101 F284 F420 E421
Binding residue
(residue number reindexed from 1)		D101 F275 F401 E402
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.3.6: acyl-CoA oxidase.
Gene Ontology
Molecular Function
GO:0003997 acyl-CoA oxidase activity
GO:0005504 fatty acid binding
GO:0016401 palmitoyl-CoA oxidase activity
GO:0016491 oxidoreductase activity
GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0030165 PDZ domain binding
GO:0042803 protein homodimerization activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0000038 very long-chain fatty acid metabolic process
GO:0006091 generation of precursor metabolites and energy
GO:0006629 lipid metabolic process
GO:0006631 fatty acid metabolic process
GO:0006635 fatty acid beta-oxidation
GO:0006693 prostaglandin metabolic process
GO:0007283 spermatogenesis
GO:0009062 fatty acid catabolic process
GO:0019395 fatty acid oxidation
GO:0033540 fatty acid beta-oxidation using acyl-CoA oxidase
GO:0050665 hydrogen peroxide biosynthetic process
GO:0055088 lipid homeostasis
GO:0140493 very long-chain fatty acid beta-oxidation
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005778 peroxisomal membrane
GO:0005782 peroxisomal matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ddh, PDBe:2ddh, PDBj:2ddh
PDBsum2ddh
PubMed16672280
UniProtP07872|ACOX1_RAT Peroxisomal acyl-coenzyme A oxidase 1 (Gene Name=Acox1)

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