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MolNFT v1 · #24973 · protein + RNA

Crystal structure of the hepatitis delta virus gemonic ribozyme precursor, with C75U mutaion, and MN2+ bound

1VBY · Hepatitis delta virus ribozyme: “Crystal structure of the hepatitis delta virus gemonic ribozyme precursor, with C75U mutaion, and MN2+ bound”. X-ray diffraction, 2 ligands (MN, NA), 5 pockets (best druggability 0.60). MolNFT v1…

PDB
1VBY
Type
protein + RNA
Length
168 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hepatitis delta virus ribozyme; U1 small nuclear ribonucleoprotein a
UniProt
P09012
Ligands
MN, NA
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BHepatitis delta virus ribozymerna73——
AU1 small nuclear ribonucleoprotein aprotein9532% helix, 26% strandP09012

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains B
  • NA · Sodium ion · metal · chains B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13830.600.7723NA
24560.570.7529empty
33000.510.7417empty
4970.410.7816empty
5890.360.7713MN

Interfaces

1 interface between chains.

  • B–A · 947 Ų buried · 39 hydrogen bonds · protein-nucleic

Compared structures

  • 1VBY · Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U… · the same entry in another collection · chain B against B, TM-score 1.00

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