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MolNFT v1 · #167172 · protein

Crystal structure of E.COLI rpph in complex with CTP

6VCR · RNA pyrophosphohydrolase: “Crystal structure of E.COLI rpph in complex with CTP”. X-ray diffraction, 3 ligands (CTP, PPV, SO4), 1 pocket (best druggability 0.40). MolNFT v1 #167172 on GenesisL1: 3D structure, binding sites and…

PDB
6VCR
Type
protein
Length
161 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA pyrophosphohydrolase
EC
3.6.1.-
UniProt
P0A776
Ligands
CTP, PPV, SO4
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA pyrophosphohydrolase (EC 3.6.1.-)protein16130% helix, 30% strandP0A776

Ligands and binding sites

  • CTP · Cytidine-5'-triphosphate · ligand · 3 copies · chains A
  • PPV · Pyrophosphate · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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
11650.400.7330CTP

Compared structures

  • 6VCR · Crystal structure of E.coli RppH in complex with CTP · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A776 · AlphaFold monomer V2.0 prediction for RNA pyrophosphohydrolase (P0A776) · a predicted model of the same protein · chain A against A, TM-score 0.97

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