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Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, target efi-500704, with bound ca, disordered loops

Analyse Crystal structure of a proposed galactarolactone cycloisomerase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GGB
Type
protein
Length
348 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative uncharacterized protein
UniProt
A9CEQ8
Ligands
CA, CL
Pockets
3 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative uncharacterized proteinprotein34844% helix, 19% strandA9CEQ8

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.540.8122empty
2850.340.7515CA
3580.290.7416empty

Compared structures

  • 4GGB · Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
  • A9CEQ8 · AlphaFold monomer V2.0 prediction for D-galactarolactone cycloisomerase (A9CEQ8) · a predicted model of the same protein · chain A against A, TM-score 0.98

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