Structure of PDB 6hqi Chain A Binding Site BS03

Receptor Information
>6hqi Chain A (length=444) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKVPYYKFPSVTKLRIRPPAHALDEAYIAKYNLAISRMKDLDKTQPDNPI
GFKQQANIHCAYQVHNSWLFFPFHRWYLYFYERILGSLIDDPTFGLPFWN
WDHPKGMRFPPMFDVPGTALYDERRGDQIHNGNFIDLGSFGDQVETTQLQ
LMTNNLTLMYRQLVTNSPCPLMFFGGPSTVEAAGTVENIPHSPVHIWVGT
RRGSVLPDGKISNGEDMGNFYSAGLDPLFYCHHSNVDRMWNEWKATGGKR
TDLQNKDWLNSEFFFYDENGNPFKVRVRDCLDTKKMGYDYQPTATPWRNF
KPKTKASAGKVNTGSIPPESQVFPLAKLDKAISFSINRPASSRTQQEKNA
QEEVLTFNAIKYDNRDYIRFDVFLNVDNNVNANELDKAEFAGSYTSLTAT
ATLRLAITELLEDIGLEDEDTIAVTLVPKKGDISIGGVEIKLAD
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain6hqi Chain A 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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PDB6hqi Biochemical and structural characterization of tomato polyphenol oxidases provide novel insights into their substrate specificity.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H93 H241 H283
Binding residue
(residue number reindexed from 1)		H59 H191 H233
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H93 H111 H120 H241 H245 F270 H283
Catalytic site (residue number reindexed from 1) H59 H65 H74 H191 H195 F220 H233
Enzyme Commision number 1.10.3.1: catechol oxidase.
Gene Ontology
Molecular Function
GO:0004097 catechol oxidase activity
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6hqi, PDBe:6hqi, PDBj:6hqi
PDBsum6hqi
PubMed30858490
UniProtQ08303|PPOA_SOLLC Polyphenol oxidase A, chloroplastic

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