Structure of PDB 5m8t Chain B Binding Site BS04

Receptor Information
>5m8t Chain B (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 ID0TR
InChIInChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKeyMDYOLVRUBBJPFM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352OC1=CC=CC=CC1=O
OpenEye OEToolkits 1.6.1C1=CC=C(C(=O)C=C1)O
FormulaC7 H6 O2
Name2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE;
TROPOLONE
ChEMBLCHEMBL121188
DrugBank
ZINCZINC000000392003
PDB chain5m8t Chain B Residue 517 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m8t Structure of Human Tyrosinase Related Protein 1 Reveals a Binuclear Zinc Active Site Important for Melanogenesis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		H192 H215 H377 H381 G389 Q390 S394
Binding residue
(residue number reindexed from 1)		H168 H191 H353 H357 G365 Q366 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:5m8t, PDBe:5m8t, PDBj:5m8t
PDBsum5m8t
PubMed28661582
UniProtP17643|TYRP1_HUMAN 5,6-dihydroxyindole-2-carboxylic acid oxidase (Gene Name=TYRP1)

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