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High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of mycobacterium tuberculosis hbn

Analyse High resolution X-ray structure of the N-terminal truncated form (residues… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AB8
Type
protein
Length
117 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Group 1 truncated hemoglobin glbn
UniProt
P9WN25
Ligands
HEM
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGroup 1 truncated hemoglobin glbnprotein11768% helix, 0% strandP9WN25

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • FMT · Formic acid · additive · chains A
  • ACT · Acetate ion · additive · 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
13600.730.8437HEM, FMT, GOL

Compared structures

  • 5AB8 · High resolution X-ray structure of the N-terminal truncated form (residues 1-11) of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WN25 · AlphaFold monomer V2.0 prediction for group 1 truncated hemoglobin glbn (P9WN25) · a predicted model of the same protein · chain A against A, TM-score 0.93

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