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 ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

5ol0 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5ol0 The crystal structure of the Leishmania infantum Silent Information Regulator 2 related protein 1: Implications to protein function and drug design.
Resolution	1.99 Å
Binding residue (original residue number in PDB)	C152 C155 C176 C179
Binding residue (residue number reindexed from 1)	C127 C130 C151 C154
Annotation score	1

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

View graph for
Molecular Function

External links

PDB	RCSB:5ol0, PDBe:5ol0, PDBj:5ol0
PDBsum	5ol0
PubMed	29543820
UniProt	A0A6L0XH39

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