Research workbench
Crystal structure of ABC transporter system solute-binding proteins from aeropyrum pernix K1
Analyse Crystal structure of ABC transporter system solute-binding proteins from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PEV
- Type
- protein
- Length
- 1,110 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane lipoprotein family protein
- UniProt
- Q9Y8P1
- Ligands
- ADN
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Membrane lipoprotein family protein | protein | 370 | 51% helix, 18% strand | Q9Y8P1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.74 | 0.95 | 31 | ADN |
| 2 | 97 | 0.73 | 0.95 | 29 | ADN |
| 3 | 93 | 0.72 | 0.94 | 29 | ADN |
| 4 | 230 | 0.59 | 0.80 | 26 | empty |
| 5 | 110 | 0.52 | 0.82 | 16 | empty |
Interfaces
1 interface between chains.
- A–C · 342 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 4PEV · Crystal structure of ABC transporter system solute-binding proteins from Aeropyrum pernix… · 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 Q9Y8P1
- Elsewhere: RCSB PDB 4PEV · PDBe 4PEV · UniProt Q9Y8P1
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