MolNFT v1 · #142617 · protein
Crystal structure of putative amino acid binding periplasmic ABC transporter protein from candidatus liberibacter asiaticus bound with citrate
6AA1 · Putative amino acid-binding periplasmic ABC transporter…: “Crystal structure of putative amino acid binding periplasmic ABC transporter protein from candidatus…”. X-ray diffraction, 3 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 6AA1
- Type
- protein
- Length
- 468 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative amino acid-binding periplasmic ABC transporter protein
- UniProt
- C6XGT2
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative amino acid-binding periplasmic ABC transporter protein | protein | 234 | 40% helix, 29% strand | C6XGT2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 36 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.85 | 0.85 | 124 | EDO, CIT, GOL |
| 2 | 144 | 0.79 | 0.96 | 25 | GOL, EDO |
| 3 | 52 | 0.71 | 0.98 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1324 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6AA1 · Crystal structure of putative amino acid binding periplasmic ABC transporter protein from… · 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 C6XGT2
- Elsewhere: RCSB PDB 6AA1 · PDBe 6AA1 · UniProt C6XGT2
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