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MolNFT v1 · #77550 · protein

X-ray structure of the C-terminal swapped dimer of P114A variant of ribonuclease a

3RID · Ribonuclease pancreatic: “X-ray structure of the C-terminal swapped dimer of P114A variant of ribonuclease a”. X-ray diffraction, 2 ligands (CGP, PO4), 1 pocket (best druggability 0.35). MolNFT v1 #77550 on GenesisL1: 3D structure…

PDB
3RID
Type
protein
Length
496 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease pancreatic
EC
3.1.27.5
UniProt
P61823
Ligands
CGP, PO4
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DRibonuclease pancreatic (EC 3.1.27.5)protein12421% helix, 39% strandP61823

Ligands and binding sites

  • CGP · 2'-deoxycytidine-2'-deoxyguanosine-3',5'-monophosphate · ligand · 4 copies · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D

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
1950.350.7425empty

Interfaces

3 interfaces between chains.

  • C–D · 1889 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 1859 Ų buried · 37 hydrogen bonds · protein-protein
  • B–D · 99 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 3RID · X-ray structure of the C-terminal swapped dimer of P114A variant of Ribonuclease A · the same entry in another collection · chain A against A, TM-score 1.00

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