MolNFT v1 · #157727 · protein
Crystal structure of transcription regulator acab from uropathogenic E. COLI
6N8B: “Crystal structure of transcription regulator acab from uropathogenic E. COLI”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.58). MolNFT v1 #157727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6N8B
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator acab
- UniProt
- C4NVV6
- Ligands
- CA
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 73% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcription regulator acab | protein | 194 | 73% helix, 7% strand | C4NVV6 |
Ligands and binding sites
- CA · Calcium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.58 | 0.76 | 36 | CA |
| 2 | 69 | 0.36 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 182 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6N8B · Crystal structure of transcription regulator 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 6N8B · PDBe 6N8B · UniProt C4NVV6
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