Structure of PDB 9ey7 Chain A Binding Site BS05
Receptor Information
>9ey7 Chain A (length=447) Species:
9606
(Homo sapiens) [
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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
Software
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
ChEMBL
DrugBank
ZINC
ZINC000002045187
PDB chain
9ey7 Chain A Residue 509 [
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Receptor-Ligand Complex Structure
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PDB
9ey7
Interactions of phenylalanine derivatives with human tyrosinase: lessons from experimental and theoretical studies.
Resolution
2.61 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 score
1
Enzymatic activity
Enzyme Commision number
1.14.18.-
External links
PDB
RCSB:9ey7
,
PDBe:9ey7
,
PDBj:9ey7
PDBsum
9ey7
PubMed
38642076
UniProt
P17643
|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)
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