Structure of PDB 8trj Chain B Binding Site BS03

Receptor Information
>8trj Chain B (length=559) Species: 10114 (Rattus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSWNDVFQYETNKVTRIQSVNYGTIKWILHMTVFSYVSFALMSDKLYQRK
EPLISSVHTKVKGVAEVTENVTEGGVTKLVHGIFDTADYTLPLQGNSFFV
MTNYLKSEGQEQKLCPEYPSRGKQCHSDQGCIKGWMDPQSKGIQTGRCIP
YDQKRKTCEIFAWCPAEEGKEAPRPALLRSAENFTVLIKNNIDFPGHNYT
TRNILPGMNISCTFHKTWNPQCPIFRLGDIFQEIGENFTEVAVQGGIMGI
EIYWDCNLDSWSHRCQPKYSFRRLDDKYTNESLFPGYNFRYAKYYKENGM
EKRTLIKAFGVRFDILVFGTGGKFDIIQLVVYIGSTLSYFGLATVCIDLI
INTYASTCCRSRVYPSCKCCEPCAVNEYYYRKKCEPIVEPKPTLKYVSFV
DEPHIWMVDQQLLGKSLQDVKGQEVPRPQTDFLELSSPDWCQCGNCLPSQ
LPENRRALEELCCRRKPGQCITTSELFSKIVLSREALQLLLLYQEPLLAL
EGEAINSKLRHCAYRSYATWRFVSQDMADFAILPSCCRWKIRKEFPKTQG
QYSGFKYPY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8trj Chain B Residue 603 [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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PDB8trj High-affinity agonism at the P2X7 receptor is mediated by three residues outside the orthosteric pocket
Resolution2.78 Å
Binding residue
(original residue number in PDB)		C479 C499 C506 C572
Binding residue
(residue number reindexed from 1)		C443 C463 C470 C536
Annotation score4
External links
PDB RCSB:8trj, PDBe:8trj, PDBj:8trj
PDBsum8trj
PubMed39107314
UniProtQ64663|P2RX7_RAT P2X purinoceptor 7 (Gene Name=P2rx7)

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