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Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no mg

Analyse Crystal structure of an enolase from agrobacterium tumefaciens (efi target… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TJ4
Type
protein
Length
720 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mandelate racemase
UniProt
Q7CU39
Ligands
PO4, CL
Pockets
4 · best druggability 0.80

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMandelate racemaseprotein36040% helix, 20% strandQ7CU39

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 7 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • GOL · Glycerol · additive · 7 copies · 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14580.800.8778PO4, GOL
22220.540.7833GOL
32640.530.7640empty
41710.530.7930empty

Interfaces

1 interface between chains.

  • A–B · 1237 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 3TJ4 · Crystal structure of an enolase from agrobacterium tumefaciens (efi target efi-502087) no… · the same entry in another collection · chain A against A, TM-score 1.00

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