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Crystal structure of the soluble domain of time protein from mycobacterium smegmatis

Analyse Crystal structure of the soluble domain of time 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
7CU9
Type
protein
Length
384 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tube-forming protein in mycobacterial envelpe, time
UniProt
A0R5N2
Ligands
MG
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATube-forming protein in mycobacterial envelpe, timeprotein19127% helix, 38% strandA0R5N2
BTube-forming protein in mycobacterial envelpe, timeprotein19326% helix, 37% strandA0R5N2

Ligands and binding sites

  • MG · Magnesium ion · metal · chains B
  • GOL · Glycerol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11930.530.7823empty
21880.510.7724empty
3780.420.8022GOL
4740.360.7714empty

Interfaces

1 interface between chains.

  • A–B · 491 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7CU9 · Crystal structure of the soluble domain of TiME protein from Mycobacterium smegmatis · the same entry in another collection · chain A against A, TM-score 1.00

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