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MolNFT v1 · #126459 · protein

Free monomeric RNA polymerase I at 4.0A resolution

5M3M · DNA-directed RNA polymerase I subunit RPA190: “Free monomeric RNA polymerase I at 4.0A resolution”. Electron microscopy, 2 ligands (ZN, SO4), 20 pockets (best druggability 0.84). MolNFT v1 #126459 on GenesisL1: 3D structure, binding…

PDB
5M3M
Type
protein
Length
4,182 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase I subunit RPA190; DNA-directed RNA polymerase I subunit…
EC
2.7.7.6
UniProt
P10964, P22138, P07703, P20434, P20435, P20436, P32529, P22139, P28000, P40422, Q01080, P47006, P50106, P46669
Ligands
ZN, SO4
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 14 distinct chains · 32% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase I subunit RPA190 (EC 2.7.7.6)protein146244% helix, 13% strandP10964
BDNA-directed RNA polymerase I subunit RPA135 (EC 2.7.7.6)protein116630% helix, 25% strandP22138
CDNA-directed RNA polymerases I and III subunit RPAC1protein30530% helix, 33% strandP07703
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21237% helix, 22% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein9846% helix, 11% strandP20435
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1313% helix, 53% strandP20436
IDNA-directed RNA polymerase I subunit RPA12protein11610% helix, 27% strandP32529
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6945% helix, 3% strandP22139
KDNA-directed RNA polymerases I and III subunit RPAC2protein10142% helix, 25% strandP28000
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein440% helix, 30% strandP40422
MDNA-directed RNA polymerase I subunit RPA49protein973% helix, 60% strandQ01080
NDNA-directed RNA polymerase I subunit RPA34protein1316% helix, 30% strandP47006
DDNA-directed RNA polymerase I subunit RPA14protein5850% helix, 10% strandP50106
GDNA-directed RNA polymerase I subunit RPA43protein1927% helix, 43% strandP46669

Ligands and binding sites

  • ZN · Zinc ion · metal · 7 copies · chains A, B, I, J, L
  • SO4 · Sulfate ion · ion · chains B

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
16830.840.8885empty
210850.830.84121empty
310240.830.84105empty
49430.820.8394empty
52320.820.9463empty

Interfaces

30 interfaces between chains.

  • A–B · 8461 Ų buried · 113 hydrogen bonds · protein-protein
  • M–N · 2478 Ų buried · 34 hydrogen bonds · protein-protein
  • A–E · 2454 Ų buried · 38 hydrogen bonds · protein-protein
  • A–I · 2315 Ų buried · 19 hydrogen bonds · protein-protein
  • C–K · 2033 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 5M3M · Free monomeric RNA polymerase I at 4.0A resolution · the same entry in another collection · chain G against G, TM-score 1.00

Analyse

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