Structure of PDB 8srl Chain D Binding Site BS02

Receptor Information
>8srl Chain D (length=497) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPAPRYFQGENTAGFMRPVRFEGDITNLEVVGEIPKSIEGTFYRVMPEP
HLPSFIPNDPWFNGDGNISGFYFKDGHVDLKQRYVRTEKFVREAEARRSL
LGKYRNRYTDLVEFKIRSTANVNIVYWRGQLLALKEDSPPYAMDPETLET
FGVYDFDGQLPSLTFTAHPKFDPVTREMVCFGYEAKGDGTRDICYYSFGP
DGKIAETVWLVSPVCGMIHDFAVTENFVIFPIIPLVCDVERMKQGGDHWQ
WDYSIPMYIGVLPRRGAQGSDVKWFEAPHGFAGHVANAFEDDKGHIQLQM
AYAKDNVFFWWPDANGKGPRPGEVEAHFANFVLDYQSDKLPLAEPTYLVD
DDMEFPRIDDRVATRKHKHTFFCIFDRKPGVTDFEFVMPRAGGGAPMSNG
LAHLNHETGDIQRYLPGPRKLTGECIFIPRNSEAAEGDGYVMVLLANYED
MCSELAVLDTKDLTNEVALIKLPVRLRPGLHGNWVDKSDVDGHPAPL
Ligand information
Ligand IDPIT
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
InChIKeyCDRPUGZCRXZLFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CACTVS 3.341Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
ACDLabs 10.04Oc2ccc(\C=C\c1cc(O)cc(O)c1)cc2O
FormulaC14 H12 O4
NamePICEATANNOL;
4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
ChEMBLCHEMBL69863
DrugBankDB08399
ZINCZINC000000014036
PDB chain8srl Chain D Residue 602 [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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PDB8srl Crystal structure of CAO1
Resolution2.01 Å
Binding residue
(original residue number in PDB)		F91 Y133 V151 K164 E165 H248 H313 F337 E383 F384
Binding residue
(residue number reindexed from 1)		F62 Y104 V122 K135 E136 H219 H284 F308 E354 F355
Annotation score5
Gene Ontology
Molecular Function
GO:0010436 carotenoid dioxygenase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016121 carotene catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8srl, PDBe:8srl, PDBj:8srl
PDBsum8srl
PubMed
UniProtQ7S860|CAO1_NEUCR Carotenoid cleavage oxygenase 1 (Gene Name=cao-1)

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