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MolNFT v1 · #177791 · protein + DNA + RNA

The cryo-EM structure of a. thaliana pol IV-RDR2 backtracked complex

7EU0 · DNA-directed RNA polymerase IV subunit 1: “The cryo-EM structure of a. thaliana pol IV-RDR2 backtracked complex”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.89). MolNFT v1 #177791 on GenesisL1: 3D…

PDB
7EU0
Type
protein + DNA + RNA
Length
4,249 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase IV subunit 1; DNA-directed RNA polymerases IV and V subunit…
EC
2.7.7.6, 2.7.7.48
UniProt
Q9LK40, Q39211, O81098, Q9FJ98, Q9M1A8, Q6NLH0, Q8LFJ6, Q38859, Q9FLM8, O82504
Ligands
ZN, MG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 15 distinct chains · 27% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase IV subunit 1protein106033% helix, 16% strand—
BDNA-directed RNA polymerases IV and V subunit 2 (EC 2.7.7.6)protein105425% helix, 22% strandQ9LK40
CDNA-directed RNA polymerases II, IV and V subunit 3protein29121% helix, 31% strandQ39211
EDNA-directed RNA polymerases II and IV subunit 5Aprotein19832% helix, 20% strandO81098
FDNA-directed RNA polymerases II, IV and V subunit 6Aprotein7636% helix, 16% strandQ9FJ98
HDNA-directed RNA polymerases II, IV and V subunit 8Bprotein1260% helix, 40% strandQ9M1A8
IDNA-directed RNA polymerases II, IV and V subunit 9Aprotein1130% helix, 37% strandQ6NLH0
JDNA-directed RNA polymerases II, IV and V subunit 10protein6247% helix, 5% strandQ8LFJ6
KDNA-directed RNA polymerases II, IV and V subunit 11protein9440% helix, 27% strandQ38859
LDNA-directed RNA polymerases II, IV and V subunit 12protein420% helix, 33% strandQ9FLM8
MRNA-dependent RNA polymerase 2 (EC 2.7.7.48)protein105228% helix, 20% strandO82504
NDNA (5'- D(*CP*TP*GP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*GP*AP*GP*TP*G)-3')dna17——
ORNA (39-mer)rna32——
QDNA (33-mer)dna28——
RRNA (5'-R(*CP*CP*GP*A)-3')rna4——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MG · Magnesium ion · metal · 2 copies · chains A, O, M, R

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110440.890.90133empty
28260.870.90109empty
39780.860.8792empty
411490.790.80115empty
58290.770.8172empty

Interfaces

34 interfaces between chains.

  • A–B · 8046 Ų buried · 82 hydrogen bonds · protein-protein
  • A–I · 2390 Ų buried · 22 hydrogen bonds · protein-protein
  • C–K · 1882 Ų buried · 13 hydrogen bonds · protein-protein
  • A–E · 1653 Ų buried · 17 hydrogen bonds · protein-protein
  • B–J · 1476 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7EU0 · The cryo-EM structure of A. thaliana Pol IV-RDR2 backtracked complex · the same entry in another collection · chain M against M, TM-score 1.00

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