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Crystal structure of sporosarcina pasteurii uree bound to NI2+ and ZN2+

Analyse Crystal structure of sporosarcina pasteurii uree bound to NI2+ and ZN2+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4L3K
Type
protein
Length
282 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Urease accessory protein uree
UniProt
P50049
Ligands
NI, ZN
Pockets
2 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BUrease accessory protein ureeprotein14121% helix, 40% strandP50049

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A, B
  • ZN · Zinc ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1810.450.8013empty
2820.400.7711empty

Interfaces

1 interface between chains.

  • A–B · 848 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4L3K · Crystal structure of Sporosarcina pasteurii UreE bound to Ni2+ and Zn2+ · the same entry in another collection · chain A against A, TM-score 1.00
  • P50049 · AlphaFold monomer V2.0 prediction for urease accessory protein uree (P50049) · a predicted model of the same protein · chain A against A, TM-score 0.87

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