MolNFT v1 · #68326 · protein

Crystal structure of the adenylation domain of NAD+- dependent DNA ligase from staphylococcus aureus

3JSN: “Crystal structure of the adenylation domain of NAD+- dependent DNA ligase from staphylococcus aureus”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #68326 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3JSN
Type: protein
Length: 297 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA ligase
EC: 6.5.1.2
UniProt: Q9AIU7
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA ligase (EC 6.5.1.2)	protein	297	40% helix, 23% strand	Q9AIU7

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	302	0.68	0.83	44	empty
2	133	0.47	0.78	23	empty
3	72	0.37	0.77	18	empty

Compared structures

3JSN · Crystal structure of the adenylation domain of NAD+-dependent DNA ligase from… · the same entry in another collection · chain A against A, TM-score 1.00
Q9AIU7 · AlphaFold monomer V2.0 prediction for DNA ligase (Q9AIU7) · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9AIU7
Elsewhere: RCSB PDB 3JSN · PDBe 3JSN · UniProt Q9AIU7

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