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Monomer form of M.TUBERCULOSIS pkni sensor domain

Analyse Monomer form of M.TUBERCULOSIS pkni sensor domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XLM
Type
protein
Length
289 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SERINE/THREONINE-protein kinase pkni
EC
2.7.11.1
UniProt
P9WI69
Pockets
6 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASERINE/THREONINE-protein kinase pkni (EC 2.7.11.1)protein1452% helix, 51% strandP9WI69
BSERINE/THREONINE-protein kinase pkni (EC 2.7.11.1)protein1442% helix, 51% strandP9WI69

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13420.700.8333empty
22820.550.7640empty
31730.540.7919empty
41470.480.7718empty
5910.390.7715empty

Interfaces

1 interface between chains.

  • A–B · 819 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5XLM · Monomer form of M.tuberculosis PknI sensor domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WI69 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pkni (P9WI69) · a predicted model of the same protein · chain A against A, TM-score 0.97

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