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X-ray structure of truncated oxygen-avid haemoglobin from Bacillus subtilis

Analyse X-ray structure of truncated oxygen-avid haemoglobin from Bacillus subtilis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1UX8
Type
protein
Length
118 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.15
Source
BACILLUS SUBTILIS
Molecule
Yjbi protein
UniProt
O31607
Ligands
HEM, CYN, CL
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · resolution 2.15 · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYjbi proteinprotein11872% helix, 0% strandO31607

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • CYN · Cyanide ion · ion · chains A
  • CL · Chloride 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
12770.760.8824HEM, CYN

Compared structures

  • 1UX8 · X-ray structure of truncated oxygen-avid haemoglobin from bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • O31607 · AlphaFold monomer V2.0 prediction for group 2 truncated hemoglobin yjbi (O31607) · a predicted model of the same protein · chain A against A, TM-score 0.98

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