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Crystal structure of ykqa from bacillus subtilis. northeast structural genomics target SR631

Analyse Crystal structure of ykqa from bacillus subtilis. northeast structural genomics… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2QIK
Type
protein
Length
269 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
UPF0131 protein ykqa
UniProt
P39759
Pockets
5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUPF0131 protein ykqaprotein26926% helix, 41% strandP39759

Ligands and binding sites

  • CIT · Citric acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.620.9315empty
21140.570.8422CIT
3780.490.8313empty
41110.450.7824empty
5790.450.8124empty

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 2QIK · Crystal structure of YkqA from Bacillus subtilis. Northeast Structural Genomics Target… · the same entry in another collection · chain A against A, TM-score 1.00
  • P39759 · AlphaFold monomer V2.0 prediction for putative gamma- glutamylcyclotransferase ykqa… · a predicted model of the same protein · chain A against A, TM-score 0.99

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