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MolNFT v1 · #102966 · protein

Crystal structure of N-terminal fragments of E1

4P22 · Ubiquitin-like modifier-activating enzyme 1: “Crystal structure of N-terminal fragments of E1”. X-ray diffraction, 10 pockets (best druggability 0.75). MolNFT v1 #102966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4P22
Type
protein
Length
745 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-like modifier-activating enzyme 1
UniProt
P22314
Pockets
10 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-like modifier-activating enzyme 1protein37034% helix, 22% strandP22314
BUbiquitin-like modifier-activating enzyme 1protein37536% helix, 21% strandP22314

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15650.750.8262empty
23450.620.7947empty
32640.580.7830empty
43190.580.7749empty
51950.510.7738empty

Interfaces

1 interface between chains.

  • A–B · 2585 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 4P22 · Crystal Structure of N-terminal Fragments of E1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P22314 · AlphaFold monomer V2.0 prediction for ubiquitin-like modifier- activating enzyme 1… · a predicted model of the same protein · chain A against A, TM-score 0.79

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