Structure of PDB 9ey5 Chain A Binding Site BS01

Receptor Information

>9ey5 Chain A (length=447) Species: 9606 (Homo sapiens)

QFPRQCATVEALRSGMCCPDLSPVSGPGTDRCGSSSGRGRCEAVTADSRP
HSPQYPHDGRDDREVWPLRFFNRTCHCNGNFSGHNCGTCRPGWRGAACDQ
RVLIVRRNLLDLSKEEKNHFVRALDMAKRTTHPLFVIATRRSEEILGPDG
NTPQFENISIYNYFVWTHYYSVKKTFLGVGQESFGEVDFSHEGPAFLTWH
RYHLLRLEKDMQEMLQEPSFSLPYWNFATGKNVCDICTDDLMGSRSNFDS
TLISPNSVFSQWRVVCDSLEDYDTLGTLCNSTEDGPIRRNPAGNVARPMV
QRLPEPQDVAQCLEVGLFDTPPFYSNSTNSFRNTVEGYSDPTGKYDPAVR
SLHNLAHLFLNGTGGQTHLSPNDPIFVLLHTFTDAVFDEWLRRYNADIST
FPLENAPIGHNRQYNMVPFWPPVTNTEMFVTAPDNLGYTYEIQWPSR

Ligand information

• Ligand ID: OTY
• InChI: InChI=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
• InChIKey: UTIMIHJZXIJZKZ-ZETCQYMHSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1cc(c(cc1O)O)CC(C(=O)O)N
  CACTVS 3.370: N[C@@H](Cc1ccc(O)cc1O)C(O)=O
  ACDLabs 12.01: O=C(O)C(N)Cc1ccc(O)cc1O
  OpenEye OEToolkits 1.7.6: c1cc(c(cc1O)O)C[C@@H](C(=O)O)N
  CACTVS 3.370: N[CH](Cc1ccc(O)cc1O)C(O)=O
• Formula: C9 H11 N O4
• Name: 2-hydroxy-L-tyrosine
• ZINC: ZINC000002045187
• PDB chain: 9ey5 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9ey5 Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
• Resolution: 2.61 Å
• Binding residue (original residue number in PDB): H377 N378 H381 G389 T391 S394
• Binding residue (residue number reindexed from 1): H353 N354 H357 G365 T367 S370
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.18.-

External links

• PDB: RCSB:9ey5, PDBe:9ey5, PDBj:9ey5
• PDBsum: 9ey5
• PubMed: 38642076
• UniProt: P17643|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)