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Crystal structure of the WSS1 E203Q mutant from S. pombe

Analyse Crystal structure of the WSS1 E203Q mutant from S. pombe in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5LN5
Type
protein
Length
225 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquitin and wlm domain-containing metalloprotease SPCC1442.07C
EC
3.4.24.-
UniProt
O94580
Ligands
NI, CO3
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquitin and wlm domain-containing metalloprotease SPCC1442.07C (EC 3.4.24.-)protein11343% helix, 20% strandO94580
BUbiquitin and wlm domain-containing metalloprotease SPCC1442.07C (EC 3.4.24.-)protein11243% helix, 19% strandO94580

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • CO3 · Carbonate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14500.630.7740empty

Interfaces

1 interface between chains.

  • A–B · 132 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5LN5 · Crystal structure of the Wss1 E203Q mutant from S. pombe · the same entry in another collection · chain B against B, TM-score 1.00
  • O94580 · AlphaFold monomer V2.0 prediction for DNA-dependent metalloprotease WSS1 homolog 2… · a predicted model of the same protein · chain B against A, TM-score 0.97

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