MolNFT v1 · #102505 · protein
Crystal structure of a ABC transporter, periplasmic substrate-binding protein from brucella melitensis
4ONY · Extracellular solute-binding protein family 5: “Crystal structure of a ABC transporter, periplasmic substrate-binding protein from brucella melitensis”. X-ray diffraction, 2 ligands (P4G, CL), 16 pockets (best druggability 0.73).…
- PDB
- 4ONY
- Type
- protein
- Length
- 1,166 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular solute-binding protein family 5
- UniProt
- C0RL96
- Ligands
- P4G, CL
- Pockets
- 16 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Extracellular solute-binding protein family 5 | protein | 583 | 28% helix, 22% strand | C0RL96 |
Ligands and binding sites
- P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.73 | 0.84 | 53 | empty |
| 2 | 289 | 0.73 | 0.86 | 33 | empty |
| 3 | 266 | 0.71 | 0.85 | 40 | empty |
| 4 | 507 | 0.70 | 0.80 | 59 | empty |
| 5 | 141 | 0.59 | 0.84 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 945 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4ONY · Crystal structure of a ABC transporter, periplasmic substrate-binding 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 C0RL96
- Elsewhere: RCSB PDB 4ONY · PDBe 4ONY · UniProt C0RL96
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