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MolNFT v1 · #137672 · protein + DNA + RNA

Ternary complex of RNA pol II, transcription scaffold and RAD26

5VVR · DNA-directed RNA polymerase II subunit RPB1: “Ternary complex of RNA pol II, transcription scaffold and RAD26”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.86). MolNFT v1 #137672 on GenesisL1: 3D…

PDB
5VVR
Type
protein + DNA + RNA
Length
4,669 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase II subunit RPB1; DNA-directed RNA polymerase II subunit RPB2…
EC
2.7.7.6, 3.6.4.12
UniProt
P04050, P08518, P16370, P20433, P20434, P20435, P34087, P20436, P27999, P22139, P38902, P40422, P40352
Ligands
ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 16 distinct chains · 34% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein144840% helix, 16% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein120731% helix, 23% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein27024% helix, 27% strandP16370
DDNA-directed RNA polymerase II subunit RPB4protein17558% helix, 6% strandP20433
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21538% helix, 20% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein8132% helix, 15% strandP20435
GDNA-directed RNA polymerase II subunit RPB7protein1718% helix, 50% strandP34087
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1462% helix, 44% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1228% helix, 25% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein7041% helix, 0% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11134% helix, 25% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein460% helix, 17% strandP40422
MDNA repair and recombination protein RAD26 (EC 3.6.4.12)protein50350% helix, 12% strandP40352
NDNA (nts)dna47——
RRNArna10——
TDNA (ts)dna47——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MG · Magnesium ion · metal · chains A, 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
19500.860.88126empty
24340.860.9381empty
37950.860.8882empty
44640.840.9174empty
57210.840.8891empty

Interfaces

41 interfaces between chains.

  • A–B · 8581 Ų buried · 121 hydrogen bonds · protein-protein
  • D–G · 2303 Ų buried · 31 hydrogen bonds · protein-protein
  • C–K · 2077 Ų buried · 21 hydrogen bonds · protein-protein
  • A–F · 1829 Ų buried · 22 hydrogen bonds · protein-protein
  • A–E · 1815 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5VVR · Ternary complex of RNA Pol II, transcription scaffold and Rad26 · the same entry in another collection · chain T against T, TM-score 1.00

Analyse

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