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MolNFT v1 · #101446 · protein

Crystal structure of a human MMS2/UBC13 A122G mutant

4NRI · Ubiquitin-conjugating enzyme E2 variant 2: “Crystal structure of a human MMS2/UBC13 A122G mutant”. X-ray diffraction, 1 pocket (best druggability 0.44). MolNFT v1 #101446 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4NRI
Type
protein
Length
285 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-conjugating enzyme E2 variant 2; Ubiquitin-conjugating enzyme E2 N
EC
6.3.2.19
UniProt
Q15819, P61088
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-conjugating enzyme E2 variant 2protein14023% helix, 20% strandQ15819
BUbiquitin-conjugating enzyme E2 N (EC 6.3.2.19)protein14535% helix, 21% strandP61088

Ligands and binding sites

  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11340.440.7621empty

Interfaces

1 interface between chains.

  • A–B · 798 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 4NRI · Crystal Structure of a human Mms2/Ubc13 A122G mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15819 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 variant 2 (Q15819) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P61088 · AlphaFold monomer V2.0 prediction for ubiquitin-conjugating enzyme E2 N (P61088) · a predicted model of the same protein · chain B against A, TM-score 0.98

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