MolNFT v1 · #157726 · protein
Crystal structure of selenomethionine-containing acab from uropathogenic E. COLI
6N8A · Transcription regulator acab: “Crystal structure of selenomethionine-containing acab from uropathogenic E. COLI”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.48). MolNFT v1 #157726 on GenesisL1: 3D structure…
- PDB
- 6N8A
- Type
- protein
- Length
- 387 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator acab
- UniProt
- C4NVV6
- Ligands
- CL
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription regulator acab | protein | 193 | 70% helix, 8% strand | C4NVV6 |
| B | Transcription regulator acab | protein | 194 | 70% helix, 8% strand | C4NVV6 |
Ligands and binding sites
- CL · Chloride ion · ion · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.48 | 0.77 | 19 | empty |
| 2 | 84 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 445 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 6N8A · Crystal structure of selenomethionine-containing AcaB from uropathogenic E. coli · the same entry in another collection · chain A against A, TM-score 1.00
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 C4NVV6
- Elsewhere: RCSB PDB 6N8A · PDBe 6N8A · UniProt C4NVV6
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