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Structure solution to 2.2 ångström and functional characterisation of the open reading frame RV3214 from mycobacterium tuberculosis

Analyse Structure solution to 2.2 ångström and functional characterisation of the open… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2A6P
Type
protein
Length
386 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Possible phosphoglycerate mutase GPM2
EC
5.4.2.1
UniProt
Q6MWZ7
Ligands
SO4
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPossible phosphoglycerate mutase GPM2 (EC 5.4.2.1)protein19340% helix, 20% strandQ6MWZ7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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
16920.730.7994SO4, GOL

Interfaces

1 interface between chains.

  • A–B · 1026 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 2A6P · Structure Solution to 2.2 Angstrom and Functional Characterisation of the Open Reading… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6MWZ7 · AlphaFold monomer V2.0 prediction for acid phosphatase (Q6MWZ7) · a predicted model of the same protein · chain A against A, TM-score 1.00

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