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Crystal structure of type I restriction enzyme ecoki M protein (ec 2.1.1.72) (M.ECOKI)

Analyse Crystal structure of type I restriction enzyme ecoki M protein (ec 2.1.1.72)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AR0
Type
protein
Length
968 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Type I restriction enzyme ecoki M protein
EC
2.1.1.72
UniProt
P08957
Ligands
UNX
Pockets
12 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AType I restriction enzyme ecoki M protein (EC 2.1.1.72)protein48543% helix, 13% strandP08957
BType I restriction enzyme ecoki M protein (EC 2.1.1.72)protein48342% helix, 13% strandP08957

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 10 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17790.710.7772empty
21340.570.8338empty
31570.480.7727empty
4790.460.8123empty
51390.450.7719empty

Interfaces

1 interface between chains.

  • A–B · 512 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified (engineered).

Compared structures

  • 2AR0 · Crystal structure of Type I restriction enzyme EcoKI M protein (EC 2.1.1.72) (M.EcoKI) · the same entry in another collection · chain A against A, TM-score 1.00
  • P08957 · AlphaFold monomer V2.0 prediction for type I restriction enzyme ecoki M protein (P08957) · a predicted model of the same protein · chain B against A, TM-score 0.68

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