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Crystal structure of consomatin-RO1 <STRUCTURE_DETAILS=CONSOMATIN-RO1, a cone snail venom sstl mimetic

Analyse Crystal structure of consomatin-RO1 <STRUCTURE_DETAILS=CONSOMATIN-RO1, a cone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SMU
Type
protein
Length
78 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Consomatin-RO1
Ligands
V1J
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 62% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D, E, C, B, F, AConsomatin-RO1protein130% helix, 62% strand—

Ligands and binding sites

  • V1J · 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45-pentadecaoxaoctatetracontane-1,48-diol · ligand · chains D, E, C, B, F, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.490.7429V1J

Interfaces

6 interfaces between chains.

  • C–B · 337 Ų buried · 7 hydrogen bonds · protein-protein
  • E–F · 313 Ų buried · 7 hydrogen bonds · protein-protein
  • D–C · 279 Ų buried · 6 hydrogen bonds · protein-protein
  • B–A · 261 Ų buried · 7 hydrogen bonds · protein-protein
  • D–E · 233 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 6 d-amino, 6 disulfide (D-amino acid, disulfide, carboxylation, hydroxylation).

Compared structures

  • 7SMU · Crystal Structure of Consomatin-Ro1 <structure_details=Consomatin-Ro1, a cone snail venom… · the same entry in another collection · chain D against D, TM-score 1.00

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