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MolNFT v1 · #9001 · protein

RNA dependent RNA polymerase from dsrna bacteriophage PHI6 plus bound ntp

1HI1 · P2 protein: “RNA dependent RNA polymerase from dsrna bacteriophage PHI6 plus bound ntp”. X-ray diffraction, 1 ligand (ATP), 17 pockets (best druggability 0.84). MolNFT v1 #9001 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1HI1
Type
protein
Length
1,992 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
P2 protein
UniProt
P11124
Ligands
ATP
Pockets
17 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CP2 proteinprotein66446% helix, 15% strandP11124

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, B, C

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

Pockets

17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111020.840.85110ATP
24120.780.8747empty
34930.760.8448empty
43600.750.8647empty
53990.750.8560ATP

Interfaces

2 interfaces between chains.

  • A–B · 925 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 498 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

  • 1HI1 · RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus bound NTP · the same entry in another collection · chain A against A, TM-score 1.00

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