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Crystal structure of a putative triosephosphate isomerase from coccidioides immitis

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

PDB
3S6D
Type
protein
Length
270 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative triosephosphate isomerase
EC
5.3.1.1
UniProt
P0CL22
Ligands
NA
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative triosephosphate isomerase (EC 5.3.1.1)protein27046% helix, 16% strandP0CL22

Ligands and binding sites

  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11470.550.8231empty
2640.450.8217empty
3990.410.7719NA
4580.300.7517empty

Compared structures

  • 3S6D · Crystal structure of a putative triosephosphate isomerase from Coccidioides immitis · the same entry in another collection · chain A against A, TM-score 1.00
  • P0CL22 · AlphaFold monomer V2.0 prediction for putative triosephosphate isomerase (P0CL22) · a predicted model of the same protein · chain A against A, TM-score 0.97

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