MolNFT v1 · #142555 · protein
Crystal structure of putative amino acid binding periplasmic ABC transporter protein from candidatus liberibacter asiaticus in complex with cystine
6A80 · Putative amino acid-binding periplasmic ABC transporter…: “Crystal structure of putative amino acid binding periplasmic ABC transporter protein from candidatus…”. X-ray diffraction, 1 ligand (CYS), 4 pockets (best druggability…
- PDB
- 6A80
- 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
- Ligands
- CYS
- Pockets
- 4 · best druggability 0.81
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
- CYS · Cysteine · ligand · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 398 | 0.81 | 0.89 | 44 | EDO, CYS |
| 2 | 154 | 0.80 | 0.97 | 26 | empty |
| 3 | 392 | 0.80 | 0.89 | 44 | EDO, CYS |
| 4 | 261 | 0.53 | 0.76 | 33 | ACT, GOL |
Interfaces
1 interface between chains.
- A–B · 1366 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6A80 · 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 6A80 · PDBe 6A80 · UniProt C6XGT2
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