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MolNFT v1 · #126539 · protein + DNA + RNA

RNA polymerase I elongation complex 1

5M5X · DNA-directed RNA polymerase I subunit RPA190: “RNA polymerase I elongation complex 1”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.84). MolNFT v1 #126539 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5M5X
Type
protein + DNA + RNA
Length
4,214 residues
Chains
17
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, P50106, P20434, P20435, P46669, P20436, P32529, P22139, P28000, P40422, Q01080, P47006
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 17 distinct chains · 27% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase I subunit RPA190 (EC 2.7.7.6)protein145538% helix, 12% strandP10964
BDNA-directed RNA polymerase I subunit RPA135 (EC 2.7.7.6)protein117023% helix, 20% strandP22138
CDNA-directed RNA polymerases I and III subunit RPAC1protein30421% helix, 26% strandP07703
DDNA-directed RNA polymerase I subunit RPA14protein5946% helix, 7% strandP50106
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21435% helix, 20% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein10045% helix, 13% strandP20435
GDNA-directed RNA polymerase I subunit RPA43protein18714% helix, 40% strandP46669
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1343% helix, 41% strandP20436
IDNA-directed RNA polymerase I subunit RPA12protein646% helix, 22% strandP32529
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6942% helix, 0% strandP22139
KDNA-directed RNA polymerases I and III subunit RPAC2protein10038% helix, 25% strandP28000
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein430% helix, 28% strandP40422
MDNA-directed RNA polymerase I subunit RPA49protein1010% helix, 45% strandQ01080
NDNA-directed RNA polymerase I subunit RPA34protein1350% helix, 19% strandP47006
RRNArna13——
SNon-template DNAdna28——
TTemplate DNAdna38——

Ligands and binding sites

  • ZN · Zinc ion · metal · 6 copies · chains A, B, I, M, J, L

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
18420.840.8799empty
29190.840.8679empty
36500.830.8772empty
44000.820.9045empty
510360.800.82119empty

Interfaces

39 interfaces between chains.

  • A–B · 9246 Ų buried · 94 hydrogen bonds · protein-protein
  • A–E · 2956 Ų buried · 35 hydrogen bonds · protein-protein
  • M–N · 2251 Ų buried · 32 hydrogen bonds · protein-protein
  • A–F · 2145 Ų buried · 18 hydrogen bonds · protein-protein
  • C–K · 2005 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5M5X · RNA Polymerase I elongation complex 1 · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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