MolNFT v1 · #172757 · protein
Crystal structure of E. COLI hth-type transcriptional regulator rcda in complex with tmao at 1.76 a resolution
7ACM: “Crystal structure of E. COLI hth-type transcriptional regulator rcda in complex with tmao at 1.76 a resolution”. X-ray diffraction, 1 ligand (TMO), 2 pockets (best druggability 0.75). MolNFT v1 #172757 on GenesisL1: 3D structure…
- PDB
- 7ACM
- Type
- protein
- Length
- 351 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator rcda
- UniProt
- P75811
- Ligands
- TMO
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator rcda | protein | 173 | 77% helix, 0% strand | P75811 |
| B | Hth-type transcriptional regulator rcda | protein | 178 | 75% helix, 0% strand | P75811 |
Ligands and binding sites
- TMO · trimethylamine oxide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.75 | 0.98 | 18 | TMO |
| 2 | 58 | 0.73 | 0.99 | 17 | TMO |
Interfaces
1 interface between chains.
- A–B · 2130 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 7ACM · Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with TMAO… · the same entry in another collection · chain A against A, TM-score 1.00
- P75811 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator rcda (P75811) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P75811
- Elsewhere: RCSB PDB 7ACM · PDBe 7ACM · UniProt P75811
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