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Crystal structure of a putative uncharacterized protein from mycobacterium tuberculosis

Analyse Crystal structure of a putative uncharacterized protein from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Q6U
Type
protein
Length
642 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
O06357
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein31817% helix, 39% strandO06357
BUncharacterized proteinprotein32419% helix, 38% strandO06357

Ligands and binding sites

  • 1PE · Pentaethylene glycol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12290.780.91371PE
22920.720.8547empty
33700.620.7830empty
41530.460.7722empty
5950.440.7922empty

Interfaces

1 interface between chains.

  • A–B · 1202 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

  • 4Q6U · Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00

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