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RNA dependent RNA polymerase from dsrna bacteriophage PHI6 plus initiation complex

Analyse RNA dependent RNA polymerase from dsrna bacteriophage PHI6 plus initiation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1HI0
Type
protein + DNA
Length
2,004 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-(*TP*TP*TP*CP*C)-3'); P2 protein
UniProt
P11124
Ligands
GTP, MG, MN
Pockets
13 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
D, E, FDNA (5'-(*TP*TP*TP*CP*C)-3')dna4——
P, Q, RP2 proteinprotein66446% helix, 13% strandP11124

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains D, P, E, Q, F, R
  • MG · Magnesium ion · metal · 6 copies · chains P, Q, R
  • MN · Manganese (II) ion · metal · 3 copies · chains P, Q, R

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

Pockets

13 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111620.850.86121GTP, MG
211040.850.86115GTP
310590.840.8595GTP, MG
411370.830.8484empty
55480.760.8450empty

Interfaces

5 interfaces between chains.

  • P–Q · 958 Ų buried · 13 hydrogen bonds · protein-protein
  • D–P · 688 Ų buried · 5 hydrogen bonds · protein-nucleic
  • F–R · 685 Ų buried · 5 hydrogen bonds · protein-nucleic
  • E–Q · 684 Ų buried · 5 hydrogen bonds · protein-nucleic
  • P–R · 502 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1HI0 · RNA dependent RNA polymerase from dsRNA bacteriophage phi6 plus initiation complex · the same entry in another collection · chain D against D, TM-score 1.00

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