Research workbench
Crystal structure of thermus thermophilus transcription initiation complex comprising a truncated sigma finger
Analyse Crystal structure of thermus thermophilus transcription initiation complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6LTS
- Type
- protein + DNA
- Length
- 3,509 residues
- Chains
- 8
- 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
- Q5SHR6, Q8RQE9, Q8RQE8, Q8RQE7, Q5SKW1
- Ligands
- MG, ZN
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 8 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 226 | 22% helix, 39% strand | Q5SHR6 |
| B | DNA-directed RNA polymerase subunit alpha (EC 2.7.7.6) | protein | 222 | 23% helix, 43% strand | Q5SHR6 |
| C | DNA-directed RNA polymerase subunit beta (EC 2.7.7.6) | protein | 1111 | 29% helix, 27% strand | Q8RQE9 |
| D | DNA-directed RNA polymerase subunit beta' (EC 2.7.7.6) | protein | 1486 | 36% helix, 24% strand | Q8RQE8 |
| E | DNA-directed RNA polymerase subunit omega (EC 2.7.7.6) | protein | 94 | 49% helix, 11% strand | Q8RQE7 |
| F | RNA polymerase sigma factor siga | protein | 336 | 70% helix, 1% strand | Q5SKW1 |
| H | Nontemplate DNA | dna | 24 | — | — |
| G | Template DNA | dna | 10 | — | — |
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 | 1096 | 0.86 | 0.87 | 101 | MG |
| 2 | 1177 | 0.84 | 0.85 | 94 | empty |
| 3 | 1004 | 0.83 | 0.84 | 84 | empty |
| 4 | 439 | 0.79 | 0.88 | 56 | empty |
| 5 | 879 | 0.78 | 0.81 | 85 | empty |
Interfaces
17 interfaces between chains.
- C–D · 8985 Ų buried · 121 hydrogen bonds · protein-protein
- D–F · 3912 Ų buried · 53 hydrogen bonds · protein-protein
- C–F · 2396 Ų buried · 25 hydrogen bonds · protein-protein
- D–E · 2391 Ų buried · 35 hydrogen bonds · protein-protein
- A–C · 2057 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 6LTS · Crystal structure of Thermus thermophilus transcription initiation complex comprising a… · the same entry in another collection · chain G against G, TM-score 1.00
- Q8RQE7 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (Q8RQE7) · a predicted model of the same protein · chain E 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 Q5SHR6
- Every structure of UniProt Q8RQE9
- Every structure of UniProt Q8RQE8
- Every structure of UniProt Q8RQE7
- Every structure of UniProt Q5SKW1
- Elsewhere: RCSB PDB 6LTS · PDBe 6LTS · UniProt Q5SHR6 · UniProt Q8RQE9 · UniProt Q8RQE8 · UniProt Q8RQE7 · UniProt Q5SKW1
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