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YENB/RHS2 complex

Analyse YENB/RHS2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KIS
Type
protein
Length
2,121 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yenb; RHS2
UniProt
B6A880
Ligands
CA, NA, CL
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYenbprotein144611% helix, 39% strandB6A880
BRHS2protein6757% helix, 47% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • CL · Chloride ion · ion · 4 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18740.800.8296empty
22610.790.9142empty
34390.700.8140empty
46150.700.7856empty
53830.690.8146empty

Interfaces

1 interface between chains.

  • A–B · 4015 Ų buried · 58 hydrogen bonds · protein-protein

Compared structures

  • 5KIS · YenB/RHS2 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • B6A880 · AlphaFold monomer V2.0 prediction for toxin subunit yenb (B6A880) · a predicted model of the same protein · chain A against A, TM-score 0.96

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