Structure of PDB 2irx Chain A Binding Site BS01

Receptor Information

>2irx Chain A (length=283) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QRVTLTNADKVLYPATGTTKSDIFDYYAGVAEVMLGHIAGRPATRKRWPN
GVDQPAFFEKQLALSAPPWLSRATVAHRSGTTTYPIIDSATGLAWIAQQA
ALEVHVPQWRFVAEPGSGELNPGPATRLVFDLDPGEGVMMAQLAEVARAV
RDLLADIGLVTFPVTSGSKGLHLYTPLDEPVSSRGATVLAKRVAQRLEQA
MPALVTSTMTKSLRAGKVFVDWSQNSGSKTTIAPYSLRGRTHPTVAAPRT
WAELDDPALRQLSYDEVLTRIARDGDLLERLDA

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

2irx Chain A Residue 304 [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	2irx Structure and function of a mycobacterial NHEJ DNA repair polymerase.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	D140 D142
Binding residue (residue number reindexed from 1)	D131 D133
Annotation score	4

Enzymatic activity

Enzyme Commision number

6.5.1.1: DNA ligase (ATP).

External links

PDB	RCSB:2irx, PDBe:2irx, PDBj:2irx
PDBsum	2irx
PubMed	17174332
UniProt	P9WNV3\|LIGD_MYCTU Multifunctional non-homologous end joining DNA repair protein LigD (Gene Name=ligD)

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