MolNFT v1 · #169721 · protein + DNA
Cryo-EM structure of ecmrr-rnap-promoter open complex (ecmrr-rpo)
6XL5 · DNA-directed RNA polymerase subunit alpha: “Cryo-EM structure of ecmrr-rnap-promoter open complex (ecmrr-rpo)”. Electron microscopy, 4 ligands (1N7, 118, ZN), 20 pockets (best druggability 0.85). MolNFT v1 #169721 on GenesisL1: 3D…
- PDB
- 6XL5
- Type
- protein + DNA
- Length
- 4,328 residues
- Chains
- 10
- Method
- electron microscopy
- 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
- P0A7Z6, B7MIX3, P0A8T8, B7MFL0, P00579
- Ligands
- 1N7, 118, ZN, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 9 distinct chains · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 231 | 21% helix, 40% strand | P0A7Z6 |
| B | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 222 | 20% helix, 41% strand | P0A7Z6 |
| C | DNA-directed RNA polymerase subunit beta (EC 2.7.7.6) | protein | 1340 | 31% helix, 24% strand | B7MIX3 |
| D | DNA-directed RNA polymerase subunit beta' (EC 2.7.7.6) | protein | 1336 | 37% helix, 20% strand | P0A8T8 |
| E | DNA-directed RNA polymerase subunit omega (EC 2.7.7.6) | protein | 79 | 61% helix, 0% strand | B7MFL0 |
| F | RNA polymerase sigma factor rpod | protein | 476 | 68% helix, 3% strand | P00579 |
| N | Synthetic non-template strand DNA (54-mer) | dna | 54 | — | — |
| T | Synthetic template strand DNA (54-mer) | dna | 54 | — | — |
| G, H | Merr family transcriptional regulator ecmrr | protein | 268 | 38% helix, 25% strand | — |
Ligands and binding sites
- 1N7 · Chapso · ligand · 5 copies · chains C, A, D, F, T, G, H
- 118 · Tetraphenylantimonium ion · ligand · 2 copies · chains G, H
- ZN · Zinc ion · metal · 2 copies · chains D
- MG · Magnesium ion · metal · 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 | 686 | 0.85 | 0.89 | 87 | empty |
| 2 | 906 | 0.83 | 0.85 | 93 | 1N7 |
| 3 | 842 | 0.82 | 0.85 | 74 | empty |
| 4 | 807 | 0.80 | 0.84 | 70 | empty |
| 5 | 458 | 0.80 | 0.88 | 71 | empty |
Interfaces
24 interfaces between chains.
- C–D · 8185 Ų buried · 111 hydrogen bonds · protein-protein
- D–F · 2620 Ų buried · 30 hydrogen bonds · protein-protein
- G–H · 2591 Ų buried · 15 hydrogen bonds · protein-protein
- C–F · 2437 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2121 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6XL5 · Cryo-EM structure of EcmrR-RNAP-promoter open complex (EcmrR-RPo) · the same entry in another collection · chain H against H, TM-score 1.00
- B7MIX3 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (B7MIX3) · a predicted model of the same protein · chain C against A, TM-score 0.99
- P0A7Z6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (P0A7Z6) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P0A7Z6
- Every structure of UniProt B7MIX3
- Every structure of UniProt P0A8T8
- Every structure of UniProt B7MFL0
- Every structure of UniProt P00579
- Elsewhere: RCSB PDB 6XL5 · PDBe 6XL5 · UniProt P0A7Z6 · UniProt B7MIX3 · UniProt P0A8T8 · UniProt B7MFL0 · UniProt P00579
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