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MolNFT v1 · #120981 · protein

Reverse transcriptase domain of group II intron maturase from roseburia intestinalis in P21 space group

5HHJ · Retron-type reverse transcriptase: “Reverse transcriptase domain of group II intron maturase from roseburia intestinalis in P21 space group”. X-ray diffraction, 3 ligands (GLY, K, PO4), 7 pockets (best druggability 0.73). MolNFT v1…

PDB
5HHJ
Type
protein
Length
586 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retron-type reverse transcriptase
UniProt
D4L313
Ligands
GLY, K, PO4
Pockets
7 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetron-type reverse transcriptaseprotein29448% helix, 16% strandD4L313
BRetron-type reverse transcriptaseprotein29247% helix, 17% strandD4L313

Ligands and binding sites

  • GLY · Glycine · ligand · 3 copies · chains A, B
  • K · Potassium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B
  • SIN · Succinic acid · additive · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15420.730.8149empty
25160.720.8146GLY
32770.560.7742empty
41730.490.7727empty
5920.480.8124empty

Interfaces

1 interface between chains.

  • A–B · 1673 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 5HHJ · Reverse transcriptase domain of group II intron maturase from Roseburia intestinalis in… · the same entry in another collection · chain A against A, TM-score 1.00

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