Structure of PDB 6rxs Chain A Binding Site BS02

Receptor Information
>6rxs Chain A (length=218) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPRVLVLTGAGISAESGIRTFRARDPELVQAFANARRRQLQQPEIQPNAA
HLALAKLQDALGDRFLLVTQNLDNLHERAGNTNVIHMHGELLKVRCSQSG
QVLDWTGDVTPEDKCHCCQFPAPLRPHYVWFGEMPLGMDEIYMALSMADI
FIAIGTSGHVYPAAGFVHEAKLHGAHTVELNLEPSQVGNEFAEKYYGPAS
QVVPEFVEKLLKGLKAGS
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 chain6rxs Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rxs Evolved, Selective Erasers of Distinct Lysine Acylations.
Resolution1.599 Å
Binding residue
(original residue number in PDB)		C155 C174 C177
Binding residue
(residue number reindexed from 1)		C96 C115 C118
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0036054 protein-malonyllysine demalonylase activity
GO:0036055 protein-succinyllysine desuccinylase activity
GO:0070403 NAD+ binding

View graph for
Molecular Function
External links
PDB RCSB:6rxs, PDBe:6rxs, PDBj:6rxs
PDBsum6rxs
PubMed32187803
UniProtP75960|NPD_ECOLI NAD-dependent protein deacylase (Gene Name=cobB)

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