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Crystal structures of rada intein from pyrococcus horikoshii

Analyse Crystal structures of rada intein from pyrococcus horikoshii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E2T
Type
protein
Length
341 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pho rada intein
UniProt
O58001
Pockets
2 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 58% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APho rada inteinprotein17212% helix, 60% strandO58001
BPho rada inteinprotein16911% helix, 56% strandO58001

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains A, B
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.390.7817empty
21280.390.7422empty

Interfaces

1 interface between chains.

  • A–B · 678 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4E2T · Crystal Structures of RadA intein from Pyrococcus horikoshii · the same entry in another collection · chain A against A, TM-score 1.00
  • O58001 · AlphaFold monomer V2.0 prediction for DNA repair and recombination protein rada (O58001) · a predicted model of the same protein · chain A against A, TM-score 0.97

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