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Crystal structure of Ribonuclease A in complex with 5b

Analyse Crystal structure of Ribonuclease A in complex with 5b in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4G8Y
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.8
Source
Bos taurus
Molecule
Ribonuclease pancreatic
EC
3.1.27.5
UniProt
P61823
Ligands
0FT
Pockets
2 · best druggability 0.36

Structure

x-ray diffraction · resolution 1.8 · 1 distinct chain · 21% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibonuclease pancreatic (EC 3.1.27.5)protein12421% helix, 35% strandP61823

Ligands and binding sites

  • 0FT · 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1840.360.7616empty
2620.360.7815empty

Interfaces

1 interface between chains.

  • A–B · 324 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 4G8Y · Crystal structure of ribonuclease a in complex with 5B · the same entry in another collection · chain A against A, TM-score 1.00

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