MolNFT v1 · #168251 · protein
Crystal structure of the E. COLI transcription termination factor rho
6WA8: “Crystal structure of the E. COLI transcription termination factor rho”. X-ray diffraction, 1 ligand (ATP), 20 pockets (best druggability 0.83). MolNFT v1 #168251 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WA8
- Type
- protein
- Length
- 2,492 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription termination factor rho
- EC
- 3.6.4.-
- UniProt
- P0AG30
- Ligands
- ATP
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, F | Transcription termination factor rho (EC 3.6.4.-) | protein | 417 | 38% helix, 19% strand | P0AG30 |
| B, E | Transcription termination factor rho (EC 3.6.4.-) | protein | 412 | 39% helix, 19% strand | P0AG30 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.83 | 0.84 | 106 | ATP |
| 2 | 1100 | 0.82 | 0.83 | 104 | ATP |
| 3 | 1095 | 0.82 | 0.83 | 103 | ATP |
| 4 | 1001 | 0.80 | 0.82 | 77 | ATP |
| 5 | 906 | 0.78 | 0.81 | 61 | ATP |
Interfaces
6 interfaces between chains.
- E–F · 1941 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1938 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1837 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1785 Ų buried · 19 hydrogen bonds · protein-protein
- D–E · 1754 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6WA8 · Crystal structure of the E. coli transcription termination factor Rho · the same entry in another collection · chain F against F, TM-score 1.00
- P0AG30 · AlphaFold monomer V2.0 prediction for transcription termination factor rho (P0AG30) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P0AG30
- Elsewhere: RCSB PDB 6WA8 · PDBe 6WA8 · UniProt P0AG30
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