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Mycobacterium tuberculosis epsp synthase in unliganded state

Analyse Mycobacterium tuberculosis epsp synthase in unliganded state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BJB
Type
protein
Length
421 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-phosphoshikimate 1-carboxyvinyltransferase
EC
2.5.1.19
UniProt
P22487
Ligands
NA
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19)protein42136% helix, 23% strandP22487

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • ACT · Acetate ion · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14430.600.7544empty
21190.470.7919empty
3550.320.7721empty
4550.320.7618empty
5550.260.7315empty

Compared structures

  • 2BJB · Mycobacterium Tuberculosis Epsp Synthase In Unliganded State · the same entry in another collection · chain A against A, TM-score 1.00

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