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Crystal structure of human UBA5 in complex with UFM1 and AMP

Analyse Crystal structure of human UBA5 in complex with UFM1 and AMP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5L95
Type
protein
Length
654 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin-like modifier-activating enzyme 5; Ubiquitin-fold modifier 1
UniProt
Q9GZZ9, P61960
Ligands
AMP, ZN
Pockets
4 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin-like modifier-activating enzyme 5protein25539% helix, 18% strandQ9GZZ9
BUbiquitin-like modifier-activating enzyme 5protein23941% helix, 20% strandQ9GZZ9
C, DUbiquitin-fold modifier 1protein8025% helix, 35% strandP61960

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · chains A, C
  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15980.700.7966AMP
22380.590.8039empty
31770.590.8236empty
4930.410.7823empty

Interfaces

5 interfaces between chains.

  • A–C · 1455 Ų buried · 27 hydrogen bonds · protein-protein
  • B–D · 1446 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 1197 Ų buried · 16 hydrogen bonds · protein-protein
  • A–D · 654 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 565 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5L95 · Crystal structure of human UBA5 in complex with UFM1 and AMP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9GZZ9 · AlphaFold monomer V2.0 prediction for ubiquitin-like modifier- activating enzyme 5… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P61960 · AlphaFold monomer V2.0 prediction for ubiquitin-fold modifier 1 (P61960) · a predicted model of the same protein · chain C against A, TM-score 0.94

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