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Mycobacterium tuberculosis antigen 85B with trehalose

Analyse Mycobacterium tuberculosis antigen 85B with trehalose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1F0P
Type
protein
Length
284 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antigen 85-B
UniProt
P31952
Ligands
GLC
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntigen 85-Bprotein28438% helix, 19% strandP31952

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A
  • MES · 2-(N-morpholino)-ethanesulfonic acid · 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
12560.610.8037GLC, MPD

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1F0P · Mycobacterium tuberculosis antigen 85B with trehalose · the same entry in another collection · chain A against A, TM-score 1.00

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