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Crystal structure of salmo salar rida-2

Analyse Crystal structure of salmo salar rida-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TCD
Type
protein
Length
774 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease UK114
UniProt
C0H8I4
Ligands
SO4
Pockets
12 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 27% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease UK114protein12728% helix, 32% strandC0H8I4
B, CRibonuclease UK114protein12927% helix, 31% strandC0H8I4
DRibonuclease UK114protein13327% helix, 30% strandC0H8I4
ERibonuclease UK114protein13025% helix, 32% strandC0H8I4
FRibonuclease UK114protein12630% helix, 32% strandC0H8I4

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains E, F, D
  • ACT · Acetate ion · additive · 7 copies · chains A, B, C, D, E, F

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

Pockets

12 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.830.9926empty
21750.830.9826empty
33130.650.8152empty
4610.630.9216ACT
51980.590.8133empty

Interfaces

7 interfaces between chains.

  • D–F · 1279 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1145 Ų buried · 15 hydrogen bonds · protein-protein
  • D–E · 1132 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 1121 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 1025 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6TCD · Crystal structure of Salmo salar RidA-2 · the same entry in another collection · chain A against A, TM-score 1.00

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