Structure of PDB 6on3 Chain A Binding Site BS01

Receptor Information
>6on3 Chain A (length=147) Species: 1957 (Streptomyces sclerotialus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFRFHHIGVQTSDLENSLGWYREFFGCEQNWSLEKFSDLTRSRLPGITRL
VELAAGDLRIHVFERAADATPAPVAEVPQFQHLCLATRSPEEMTEWRDRW
LELYESGRYTFVRDEGPTDIVVDEDGVLSLYVLDVNGLEYEFTYLPE
Ligand information
Ligand IDDAH
InChIInChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChIKeyWTDRDQBEARUVNC-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(O)c(O)c1)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1cc(O)c(O)cc1
OpenEye OEToolkits 1.7.2c1cc(c(cc1C[C@@H](C(=O)O)N)O)O
CACTVS 3.370N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
OpenEye OEToolkits 1.7.2c1cc(c(cc1CC(C(=O)O)N)O)O
FormulaC9 H11 N O4
Name3,4-DIHYDROXYPHENYLALANINE;
L-DOPA
ChEMBLCHEMBL1009
DrugBankDB01235
ZINCZINC000000895199
PDB chain6on3 Chain A Residue 204 [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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PDB6on3 Crystal Structures of L-DOPA Dioxygenase fromStreptomyces sclerotialus.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		H19 F49 S50 T53 H74
Binding residue
(residue number reindexed from 1)		H6 F36 S37 T40 H61
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6on3, PDBe:6on3, PDBj:6on3
PDBsum6on3
PubMed31180203
UniProtA0A5H1ZR51

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