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MolNFT v1 · #137673 · protein + DNA + RNA

RNA pol II elongation complex

5VVS · DNA-directed RNA polymerase II subunit RPB1: “RNA pol II elongation complex”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.89). MolNFT v1 #137673 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5VVS
Type
protein + DNA + RNA
Length
4,139 residues
Chains
15
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
UniProt
P04050, P08518, P16370, P20433, P20434, P20435, P34087, P20436, P27999, P22139, P38902, P40422
Ligands
ZN, MG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 15 distinct chains · 32% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein145540% helix, 17% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein120731% helix, 24% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein27026% helix, 28% strandP16370
DDNA-directed RNA polymerase II subunit RPB4protein17555% helix, 3% strandP20433
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21536% helix, 21% 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, 20% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein7044% helix, 1% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11135% helix, 24% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein460% helix, 17% strandP40422
RRNArna10——
NDNA (nts)dna22——
TDNA (ts)dna38——

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
17270.890.93112empty
28140.890.92114empty
37410.880.9197empty
46250.870.91105empty
56520.860.9096empty

Interfaces

37 interfaces between chains.

  • A–B · 7813 Ų buried · 118 hydrogen bonds · protein-protein
  • D–G · 2234 Ų buried · 37 hydrogen bonds · protein-protein
  • C–K · 1905 Ų buried · 28 hydrogen bonds · protein-protein
  • A–F · 1893 Ų buried · 28 hydrogen bonds · protein-protein
  • A–E · 1824 Ų buried · 38 hydrogen bonds · protein-protein

Compared structures

  • 5VVS · RNA pol II elongation complex · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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