Structure of PDB 6ju9 Chain A Binding Site BS02

Receptor Information
>6ju9 Chain A (length=435) Species: 5062 (Aspergillus oryzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPYLITGIPKDPKHPLPIRKDIDDWYLEQTSSNRIQLTLFVEALTVIQNR
PLNDQLSYFRLAGIHGAPWTEWDGVPGGQKDSKGNPTGFAVHNNYTFPTW
HRVYVTLYEQVIYEAMLDFIKQNVPQNGKADWENEAKQWRLPYWDFARFA
RHGGDELRLPILVTMPMVKVLVPGQPGKQLSKPNPLYRFQMQTLMGTLER
PYAITSQKTEEHGWSFDLPFDKCQSTTKYGLLENYNADVWADGGQNWLRA
NLALNEHPWYQNLDGWDSVPTLQDMTFRLLTTGGLNWGEFSSTRYDDKKE
KNWMNLEAIHNNVHNWVGGFMFSRPGRHDLKLWGAGHMSSVPVAAYDPIF
WLHHCNIDRLTAIWQTVNSGSWFNDDKSKVSKDDDLRPFHRFCEKTRKVV
FFRSDDVKDWRSLNYDYAITKDASRIRKEISDLYG
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 chain6ju9 Chain A Residue 502 [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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PDB6ju9 Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Resolution1.42 Å
Binding residue
(original residue number in PDB)		H94 H328 N329 H332 N333 S357 V359
Binding residue
(residue number reindexed from 1)		H92 H310 N311 H314 N315 S339 V341
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.18.1: tyrosinase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6ju9, PDBe:6ju9, PDBj:6ju9
PDBsum6ju9
PubMed32356371
UniProtA0A1S9DK56

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