MolNFT v1 · #148150 · protein
Structure of mycobacterium smegmatis RNA polymerase sigma-a holoenzyme
6EYD · DNA-directed RNA polymerase subunit alpha: “Structure of mycobacterium smegmatis RNA polymerase sigma-a holoenzyme”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.85). MolNFT v1 #148150 on GenesisL1: 3D…
- PDB
- 6EYD
- Type
- protein
- Length
- 3,079 residues
- Chains
- 6
- 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
- A0QSL8, P60281, A0QS66, A0QWT1, A0QW02
- Ligands
- ZN, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 6 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 220 | 17% helix, 36% strand | A0QSL8 |
| B | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 233 | 21% helix, 37% strand | A0QSL8 |
| C | DNA-directed RNA polymerase subunit beta (EC 2.7.7.6) | protein | 1092 | 24% helix, 24% strand | P60281 |
| D | DNA-directed RNA polymerase subunit beta' (EC 2.7.7.6) | protein | 1241 | 44% helix, 12% strand | A0QS66 |
| E | DNA-directed RNA polymerase subunit omega (EC 2.7.7.6) | protein | 76 | 49% helix, 3% strand | A0QWT1 |
| F | RNA polymerase sigma factor siga | protein | 217 | 69% helix, 1% strand | A0QW02 |
Ligands and binding sites
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 | 912 | 0.85 | 0.87 | 113 | empty |
| 2 | 721 | 0.75 | 0.81 | 96 | empty |
| 3 | 1046 | 0.74 | 0.77 | 107 | empty |
| 4 | 84 | 0.73 | 0.95 | 18 | empty |
| 5 | 761 | 0.73 | 0.78 | 102 | MG |
Interfaces
10 interfaces between chains.
- C–D · 8022 Ų buried · 79 hydrogen bonds · protein-protein
- D–E · 2419 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 2057 Ų buried · 32 hydrogen bonds · protein-protein
- D–F · 1940 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1829 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6EYD · Structure of Mycobacterium smegmatis RNA polymerase Sigma-A holoenzyme · the same entry in another collection · chain C against C, TM-score 1.00
- P60281 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P60281) · a predicted model of the same protein · chain C against A, TM-score 0.98
- A0QWT1 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (A0QWT1) · a predicted model of the same protein · chain E against A, TM-score 0.94
- A0QSL8 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (A0QSL8) · a predicted model of the same protein · chain A against A, TM-score 0.94
- A0QS66 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (A0QS66) · a predicted model of the same protein · chain D against A, TM-score 0.93
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 A0QSL8
- Every structure of UniProt P60281
- Every structure of UniProt A0QS66
- Every structure of UniProt A0QWT1
- Every structure of UniProt A0QW02
- Elsewhere: RCSB PDB 6EYD · PDBe 6EYD · UniProt A0QSL8 · UniProt P60281 · UniProt A0QS66 · UniProt A0QWT1 · UniProt A0QW02
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