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Crystal structure of the catalytic domain of the mosquitocidal toxin from bacillus sphaericus, mutant E195Q

Analyse Crystal structure of the catalytic domain of the mosquitocidal toxin from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CB6
Type
protein
Length
3,833 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mosquitocidal toxin
UniProt
Q03988
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 23% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, F, I, J, M, NMosquitocidal toxinprotein23821% helix, 24% strandQ03988
C, D, K, PMosquitocidal toxinprotein24423% helix, 23% strandQ03988
G, L, OMosquitocidal toxinprotein23625% helix, 24% strandQ03988
HMosquitocidal toxinprotein24523% helix, 23% strandQ03988

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16360.760.8268empty
211710.740.77124empty
36470.730.8066empty
45310.720.8153empty
55690.720.8048empty

Interfaces

28 interfaces between chains.

  • J–L · 787 Ų buried · 6 hydrogen bonds · protein-protein
  • M–O · 785 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 767 Ų buried · 8 hydrogen bonds · protein-protein
  • E–H · 765 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 748 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 2CB6 · Crystal structure of the catalytic domain of the mosquitocidal toxin from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00

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