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Structure of trypanosoma congolense insect stage antigen

Analyse Structure of trypanosoma congolense insect stage antigen in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KMX
Type
protein
Length
778 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative uncharacterized protein TCIL3000_10_9440
UniProt
G0UXP9
Ligands
SO4
Pockets
5 · best druggability 0.45

Structure

x-ray diffraction · 5 distinct chains · 16% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative uncharacterized protein TCIL3000_10_9440protein20218% helix, 44% strandG0UXP9
BPutative uncharacterized protein TCIL3000_10_9440protein19617% helix, 45% strandG0UXP9
CPutative uncharacterized protein TCIL3000_10_9440protein18215% helix, 43% strandG0UXP9
DPutative uncharacterized protein TCIL3000_10_9440protein18415% helix, 45% strandG0UXP9
UPutative uncharacterized protein TCIL3000_10_9440protein140% helix, 7% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, U, D, B, C
  • GOL · Glycerol · additive · 2 copies · chains A, C, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.450.7425empty
2710.330.7621SO4
3690.290.7313empty
4560.240.7112empty
5520.240.7311empty

Interfaces

5 interfaces between chains.

  • B–C · 856 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 812 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 672 Ų buried · 5 hydrogen bonds · protein-protein
  • A–U · 431 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 44 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

  • 5KMX · Structure of Trypanosoma congolense Insect Stage Antigen · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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