MolNFT v1 · #150911 · protein
Crystal structure of baua, the ferric preacinetobactin receptor from acinetobacter baumannii
6H7V · Ligand-gated channel protein: “Crystal structure of baua, the ferric preacinetobactin receptor from acinetobacter baumannii”. X-ray diffraction, 19 pockets (best druggability 0.87). MolNFT v1 #150911 on GenesisL1: 3D structure…
- PDB
- 6H7V
- Type
- protein
- Length
- 2,014 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ligand-gated channel protein
- UniProt
- D0CC21
- Pockets
- 19 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 61% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ligand-gated channel protein | protein | 672 | 5% helix, 61% strand | D0CC21 |
| B, C | Ligand-gated channel protein | protein | 671 | 5% helix, 60% strand | D0CC21 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 13 copies · chains A, C, B
- C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 12 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.87 | 0.94 | 69 | empty |
| 2 | 397 | 0.86 | 0.94 | 55 | empty |
| 3 | 410 | 0.85 | 0.94 | 57 | empty |
| 4 | 94 | 0.74 | 0.96 | 23 | empty |
| 5 | 644 | 0.74 | 0.80 | 78 | EDO |
Interfaces
2 interfaces between chains.
- A–C · 722 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 649 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 6H7V · Crystal structure of BauA, the Ferric preacinetobactin receptor from Acinetobacter… · 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 D0CC21
- Elsewhere: RCSB PDB 6H7V · PDBe 6H7V · UniProt D0CC21
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.