Structure of PDB 5m8s Chain D Binding Site BS02

Receptor Information
>5m8s Chain D (length=446) 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
QRLPEPQDVAQCLEVGLFDTPPFYSNSTNSFRNTVEGFSDPTGKYDPAVS
SLHNLAHLFLNGTGGQVHLSPNDPIFVLLHTFTDAVFDEWLRRYNADIST
FPLENAPIGHNRQYNMVPFWPPVTNTEMFVTAPDNLGYTYEIQWPS
Ligand information
Ligand IDURS
InChIInChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyFULZLIGZKMKICU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=S)Nc1ccccc1
ACDLabs 10.04S=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)NC(=S)N
FormulaC7 H8 N2 S
NameN-PHENYLTHIOUREA
ChEMBLCHEMBL263376
DrugBankDB03694
ZINCZINC000003875720
PDB chain5m8s Chain D Residue 518 [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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PDB5m8s Phenylthiourea Binding to Human Tyrosinase-Related Protein 1
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F362 N378 H381 L382 G389 Q390 V391
Binding residue
(residue number reindexed from 1)		F338 N354 H357 L358 G365 Q366 V367
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:5m8s, PDBe:5m8s, PDBj:5m8s
PDBsum5m8s
PubMed32019241
UniProtP17643|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)

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