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MolNFT v1 · #49114 · protein

Crystal structure of a putative metal-dependent hydrolase (yiza, BSU10800) from bacillus subtilis at 1.90 a resolution

2QE9 · Uncharacterized protein yiza: “Crystal structure of a putative metal-dependent hydrolase (yiza, BSU10800) from bacillus subtilis at 1.90 a…”. X-ray diffraction, 1 ligand (NI), 2 pockets (best druggability 0.31). MolNFT v1 #49114 on…

PDB
2QE9
Type
protein
Length
327 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein yiza
UniProt
Q7WY73
Ligands
NI
Pockets
2 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein yizaprotein16561% helix, 2% strandQ7WY73
BUncharacterized protein yizaprotein16260% helix, 4% strandQ7WY73

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 2 copies · chains A, B
  • CIT · Citric acid · additive · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A, B

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
1830.310.7418EDO
2590.310.7620CIT

Interfaces

1 interface between chains.

  • A–B · 1592 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 2QE9 · Crystal structure of a putative metal-dependent hydrolase (yiza, bsu10800) from bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7WY73 · AlphaFold monomer V2.0 prediction for uncharacterized protein yiza (Q7WY73) · a predicted model of the same protein · chain B against A, TM-score 0.91

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