Structure of PDB 6kjm Chain A

Receptor sequence
>6kjmA (length=321) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
QTAPEVLRQWQALAEEVREHQFRYYVRDAPIISDAEFDELLRRLEALEEQ
HPELRTPDSPTQLVGGAGFATDFEPVDHLERMLSLDNAFTADELAAWAGR
IHAEVGDAAHYLCELKIDGVALSLVYREGRLTRASTRGDGRTGEDVTLNA
RTIADVPERLTPGDDYPVPEVLEVRGEVFFRLDDFQALNASLVEEGKAPF
ANPRNSAAGSLRQKDPAVTARRRLRMICHGLGHVEGFRPATLHQAYLALR
AWGLPVSEHTTLATDLAGVRERIDYWGEHRHEVDHEIDGVVVKVDEVALQ
RRLGSTSRAPRWAIAYKYPPE
3D structure
PDB6kjm Structure based identification of first-in-class fragment inhibitors that target the NMN pocket of M. tuberculosis NAD + -dependent DNA ligase A.
ChainA
Resolution2.2 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NMN A Y31 Y32 S40 D41 F44 D45 G72 Y24 Y25 S33 D34 F37 D38 G65
BS02 AMP A E121 K123 I124 E184 H236 K300 E114 K116 I117 E177 H229 K293
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity

View graph for
Molecular Function
External links
PDB RCSB:6kjm, PDBe:6kjm, PDBj:6kjm
PDBsum6kjm
PubMed33197566
UniProtP9WNV1|DNLJ_MYCTU DNA ligase A (Gene Name=ligA)

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