Structure of PDB 9fxi Chain A Binding Site BS01

Receptor Information
>9fxi Chain A (length=326) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPG
SYAARQHIMQRIQRLQADWVLEIDTFLSQTPEGERSFSNIISTLNPTAKR
HLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKT
DSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGT
SQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLK
DHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDN
EENLDESTIDNLNKILQVFVLEYLHL
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain9fxi Chain A Residue 401 [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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PDB9fxi Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		D159 E202 H330
Binding residue
(residue number reindexed from 1)		D126 E167 H295
Annotation score1
External links
PDB RCSB:9fxi, PDBe:9fxi, PDBj:9fxi
PDBsum9fxi
PubMed39125848
UniProtQ16769|QPCT_HUMAN Glutaminyl-peptide cyclotransferase (Gene Name=QPCT)

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