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MolNFT v1 · #19095 · protein

RNase T1 variant with adenine specificity

1Q9E · Guanyl-specific ribonuclease T1 precursor: “RNase T1 variant with adenine specificity”. X-ray diffraction, 2 pockets (best druggability 0.36). MolNFT v1 #19095 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1Q9E
Type
protein
Length
312 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanyl-specific ribonuclease T1 precursor
EC
3.1.27.3
UniProt
P00651
Pockets
2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CGuanyl-specific ribonuclease T1 precursor (EC 3.1.27.3)protein10416% helix, 31% strandP00651

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, C

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
1600.360.7819empty
2610.280.7317empty

Interfaces

2 interfaces between chains.

  • A–C · 190 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 22 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1Q9E · RNase T1 variant with adenine specificity · the same entry in another collection · chain A against A, TM-score 1.00
  • P00651 · AlphaFold monomer V2.0 prediction for guanyl-specific ribonuclease T1 (P00651) · a predicted model of the same protein · chain A against A, TM-score 0.99

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