Structure of PDB 4z10 Chain D Binding Site BS04

Receptor Information
>4z10 Chain D (length=347) Species: 13449 (Coreopsis grandiflora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APITAPDITSICKDASSGIGNQEGAIRTRKCCPPSLGKKIKDFQFPNDKK
VRMRWPAHKGTKKQVDDYRRAIAAMRALPDDDPRSFVSQAKIHCAYCNGG
YTQVDSGFPDIDIQIHNSWLFFPFHRWYLYFYERILGSLIDEPNFALPYW
KWDEPKGMPISNIFLGDASNPLYDQYRDANHIEDRIVDLDYDGKDKDIPD
QQQVACNLSTVYRDLVRNGVDPTSFFGGKYVAGDSPVANGDPSVGSVEAG
SHTAVHRWVGDPTQPNNEDMGNFYSAGYDPVFYIHHANVDRMWKLWKELR
LPGHVDITDPDWLNASYVFYDENKDLVRVYNKDCVNLDKLKYNFIEN
Ligand information
Ligand IDRCO
InChIInChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKeyGHMLBKRAJCXXBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)O)O
ACDLabs 10.04
CACTVS 3.341		Oc1cccc(O)c1
FormulaC6 H6 O2
NameRESORCINOL;
1,3-BENZENEDIOL;
1,3-DIHYDROXYBENZENE
ChEMBLCHEMBL24147
DrugBankDB11085
ZINCZINC000000002028
PDB chain4z10 Chain D Residue 603 [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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PDB4z10 Inactive aurone synthase (polyphenol oxidase) co-crystallized with 1,4-resorcinol
Resolution1.93 Å
Binding residue
(original residue number in PDB)		A73 R76 S169 P171
Binding residue
(residue number reindexed from 1)		A73 R76 S169 P171
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004097 catechol oxidase activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4z10, PDBe:4z10, PDBj:4z10
PDBsum4z10
PubMed
UniProtA0A075DN54

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