MolNFT v1 · #168710 · protein + DNA + RNA
Thermus thermophilus RNA polymerase initially transcribing complex with 3'DCTP
6WOY · DNA-directed RNA polymerase subunit alpha: “Thermus thermophilus RNA polymerase initially transcribing complex with 3'DCTP”. X-ray diffraction, 3 ligands (CH1, MG, ZN), 20 pockets (best druggability 0.85). MolNFT v1 #168710 on…
- PDB
- 6WOY
- Type
- protein + DNA + RNA
- Length
- 3,531 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-directed RNA polymerase subunit alpha; DNA-directed RNA polymerase subunit beta…
- EC
- 2.7.7.6
- UniProt
- Q9Z9H6, Q8RQE9, Q8RQE8, A0A1J1EUF1, Q72L95
- Ligands
- CH1, MG, ZN
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 9 distinct chains · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 226 | 21% helix, 31% strand | Q9Z9H6 |
| B | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 224 | 20% helix, 40% strand | Q9Z9H6 |
| C | DNA-directed RNA polymerase subunit beta (EC 2.7.7.6) | protein | 1111 | 28% helix, 26% strand | Q8RQE9 |
| D | DNA-directed RNA polymerase subunit beta' (EC 2.7.7.6) | protein | 1485 | 36% helix, 23% strand | Q8RQE8 |
| E | DNA-directed RNA polymerase subunit omega (EC 2.7.7.6) | protein | 94 | 50% helix, 11% strand | A0A1J1EUF1 |
| F | RNA polymerase sigma factor siga | protein | 346 | 58% helix, 1% strand | Q72L95 |
| G | DNA (5'- D(P*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*GP*CP*AP*G)-3') | dna | 17 | — | — |
| H | DNA (25-mer) | dna | 25 | — | — |
| I | RNA (5'-R(*GP*CP*A)-3') | rna | 3 | — | — |
Ligands and binding sites
- CH1 · 3'-deoxy-cytidine-5'-triphosphate · ligand · chains C, D, G, I
- MG · Magnesium ion · metal · 2 copies · chains D, I, C
- ZN · Zinc ion · metal · 2 copies · chains D
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 962 | 0.85 | 0.87 | 120 | CH1 |
| 2 | 931 | 0.85 | 0.87 | 82 | empty |
| 3 | 1017 | 0.85 | 0.85 | 89 | empty |
| 4 | 1032 | 0.83 | 0.84 | 98 | empty |
| 5 | 723 | 0.79 | 0.83 | 86 | empty |
Interfaces
22 interfaces between chains.
- C–D · 9006 Ų buried · 129 hydrogen bonds · protein-protein
- D–F · 4002 Ų buried · 49 hydrogen bonds · protein-protein
- D–E · 2402 Ų buried · 31 hydrogen bonds · protein-protein
- C–F · 2366 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 2128 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6WOY · Thermus thermophilus RNA polymerase initially transcribing complex with 3'dCTP · the same entry in another collection · chain I against I, TM-score 1.00
- Q72L95 · AlphaFold monomer V2.0 prediction for RNA polymerase sigma factor siga (Q72L95) · a predicted model of the same protein · chain F against A, TM-score 0.97
- Q9Z9H6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (Q9Z9H6) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Z9H6
- Every structure of UniProt Q8RQE9
- Every structure of UniProt Q8RQE8
- Every structure of UniProt A0A1J1EUF1
- Every structure of UniProt Q72L95
- Elsewhere: RCSB PDB 6WOY · PDBe 6WOY · UniProt Q9Z9H6 · UniProt Q8RQE9 · UniProt Q8RQE8 · UniProt A0A1J1EUF1 · UniProt Q72L95
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