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Structure of PDB 5ol0 Chain B Binding Site BS02

Receptor Information
>5ol0 Chain B (length=263) Species: 5671 (Leishmania infantum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APHQEHVLGEPTLEGLAHYIREKNVRRILVLVGAGASVAAGIPDFTDAFS
LTLLREKPEIFYSIARELNLWPGHFQPTAVHHFIRLLQDEGRLLRCCTQN
IDGLEKAAGVSPELLVEAHGSFAAAACIECHTPFSIEQNYLEAMSGTVSR
CSTCGGIVKPNVVFFGENLPDAFFDALHHDAPIAELVIIIGTSMQVHPFA
LLPCVVPKSVPRVVMNRERVGGLLFRFVCRDVLFRGDCQENVVTLAEYLG
LSEALAKRMRLSD
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 chain5ol0 Chain B Residue 1001 [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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PDB5ol0 The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C152 C155 C176 C179
Binding residue
(residue number reindexed from 1)		C127 C130 C151 C154
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P49 D50 F51 N125 D127 H144
Catalytic site (residue number reindexed from 1) P43 D44 F45 N100 D102 H119
Enzyme Commision number 2.3.1.286: protein acetyllysine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0017136 NAD-dependent histone deacetylase activity
GO:0051287 NAD binding
GO:0070403 NAD+ binding

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Molecular Function
External links

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