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MolNFT v1 · #170912 · protein + DNA + RNA

Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex

6YMW · Mitochondrial transcription factor 1: “Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex”. Electron microscopy, 2 ligands (P5E, MG), 17 pockets (best druggability 0.84). MolNFT v1 #170912 on…

PDB
6YMW
Type
protein + DNA + RNA
Length
1,313 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mitochondrial transcription factor 1; DNA-directed RNA polymerase, mitochondrial; Chains…
EC
2.1.1.-, 2.7.7.6
UniProt
P14908, P13433
Ligands
P5E, MG
Pockets
17 · best druggability 0.84

Structure

electron microscopy · 5 distinct chains · 49% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BMitochondrial transcription factor 1 (EC 2.1.1.-)protein34038% helix, 15% strandP14908
ADNA-directed RNA polymerase, mitochondrial (EC 2.7.7.6)protein91353% helix, 11% strandP13433
NChains: Ndna29——
TChains: Tdna29——
CRNA (pppgpg)rna2——

Ligands and binding sites

  • P5E · [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene) pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate · ligand · chains A, T, C
  • MG · Magnesium ion · metal · chains A

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

Pockets

17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111330.840.85101empty
28100.820.8584P5E, MG
38340.810.8470empty
410360.730.7778empty
52770.710.8635empty

Interfaces

9 interfaces between chains.

  • B–A · 1887 Ų buried · 8 hydrogen bonds · protein-protein
  • A–T · 1580 Ų buried · 31 hydrogen bonds · protein-nucleic
  • N–T · 1077 Ų buried · 97 hydrogen bonds · nucleic-nucleic
  • A–N · 1013 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–N · 619 Ų buried · 10 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 6YMW · Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex · the same entry in another collection · chain B against B, TM-score 1.00
  • P14908 · AlphaFold monomer V2.0 prediction for mitochondrial transcription factor 1 (P14908) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P13433 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase, mitochondrial (P13433) · a predicted model of the same protein · chain A against A, TM-score 0.94

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