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Naegleria gruberi RNA ligase K170A mutant with ATP and mn

Analyse Naegleria gruberi RNA ligase K170A mutant with ATP and mn in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VT6
Type
protein
Length
335 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA ligase
UniProt
D2W2Z5
Ligands
ATP, MN
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA ligaseprotein33520% helix, 35% strandD2W2Z5

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16520.780.8357ATP, MN
21890.520.7822empty
3580.280.7415empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 6VT6 · Naegleria gruberi RNA ligase K170A mutant with ATP and Mn · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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