Structure of PDB 7k72 Chain A Binding Site BS02

Receptor Information
>7k72 Chain A (length=318) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TAPEVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQH
PELRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGRI
HAEVGDAAHYLCELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNAR
TIADVPERLTPGDDYPVPEVLEVRGEVFFRLDDFQALNASLVEEGKAPFA
NPRNSAAGSLRQKDPAVTARRRLRMICHGLGHVEGFRPATLHQAYLALRA
WGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVKVDEVALQR
RLGSTSRAPRWAIAYKYP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7k72 Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k72 Structure of DNA ligase A from Mycobacterium tuberculosis bound to NAD
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Q28 Y32 F44
Binding residue
(residue number reindexed from 1)		Q20 Y24 F36
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:7k72, PDBe:7k72, PDBj:7k72
PDBsum7k72
PubMed
UniProtP9WNV1|DNLJ_MYCTU DNA ligase A (Gene Name=ligA)

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