Structure of PDB 9ey7 Chain A Binding Site BS05

Receptor Information
>9ey7 Chain A (length=447) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFPRQCATVEALRSGMCCPDLSPVSGPGTDRCGSSSGRGRCEAVTADSRP
HSPQYPHDGRDDREVWPLRFFNRTCHCNGNFSGHNCGTCRPGWRGAACDQ
RVLIVRRNLLDLSKEEKNHFVRALDMAKRTTHPLFVIATRRSEEILGPDG
NTPQFENISIYNYFVWTHYYSVKKTFLGVGQESFGEVDFSHEGPAFLTWH
RYHLLRLEKDMQEMLQEPSFSLPYWNFATGKNVCDICTDDLMGSRSNFDS
TLISPNSVFSQWRVVCDSLEDYDTLGTLCNSTEDGPIRRNPAGNVARPMV
QRLPEPQDVAQCLEVGLFDTPPFYSNSTNSFRNTVEGYSDPTGKYDPAVR
SLHNLAHLFLNGTGGQTHLSPNDPIFVLLHTFTDAVFDEWLRRYNADIST
FPLENAPIGHNRQYNMVPFWPPVTNTEMFVTAPDNLGYTYEIQWPSR
Ligand information
Ligand IDOTY
InChIInChI=1S/C9H11NO4/c10-7(9(13)14)3-5-1-2-6(11)4-8(5)12/h1-2,4,7,11-12H,3,10H2,(H,13,14)/t7-/m0/s1
InChIKeyUTIMIHJZXIJZKZ-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)O)CC(C(=O)O)N
CACTVS 3.370N[C@@H](Cc1ccc(O)cc1O)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(O)cc1O
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)O)C[C@@H](C(=O)O)N
CACTVS 3.370N[CH](Cc1ccc(O)cc1O)C(O)=O
FormulaC9 H11 N O4
Name2-hydroxy-L-tyrosine
ChEMBL
DrugBank
ZINCZINC000002045187
PDB chain9ey7 Chain A Residue 509 [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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PDB9ey7 Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
Resolution2.61 Å
Binding residue
(original residue number in PDB)
Y362 R374 H377 N378 H381 G389 T391 S394
Binding residue
(residue number reindexed from 1)
Y338 R350 H353 N354 H357 G365 T367 S370
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.18.-
External links
PDB RCSB:9ey7, PDBe:9ey7, PDBj:9ey7
PDBsum9ey7
PubMed38642076
UniProtP17643|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)

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