Structure of PDB 9ey8 Chain CA Binding Site BS01

Receptor Information
>9ey8 Chain CA (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 IDTY2
InChIInChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)/t7-/m0/s1
InChIKeyPOGSZHUEECCEAP-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)N)O
CACTVS 3.341N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)c(N)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)N)O
CACTVS 3.341N[CH](Cc1ccc(O)c(N)c1)C(O)=O
FormulaC9 H12 N2 O3
Name3-AMINO-L-TYROSINE
ChEMBLCHEMBL1236462
DrugBank
ZINCZINC000002560352
PDB chain9ey8 Chain CA Residue 503 [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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PDB9ey8 Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H215 R374 H381 L382 G389 T391 S394
Binding residue
(residue number reindexed from 1)		H191 R350 H357 L358 G365 T367 S370
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.18.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:9ey8, PDBe:9ey8, PDBj:9ey8
PDBsum9ey8
PubMed38642076
UniProtP17643|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)

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