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The crystal structure of a solute-binding protein (N280D mutant) from anabaena variabilis atcc 29413 in complex with isoleucine.
Analyse The crystal structure of a solute-binding protein (N280D mutant) from anabaena… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OAT
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino ACID/AMIDE ABC transporter substrate-binding protein, haat family
- UniProt
- Q3MFZ5
- Ligands
- ILE, MG, CL
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Amino ACID/AMIDE ABC transporter substrate-binding protein, haat family | protein | 364 | 46% helix, 20% strand | Q3MFZ5 |
Ligands and binding sites
- ILE · Isoleucine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.72 | 0.78 | 56 | empty |
| 2 | 94 | 0.54 | 0.84 | 18 | empty |
| 3 | 123 | 0.48 | 0.79 | 25 | empty |
| 4 | 119 | 0.44 | 0.77 | 21 | empty |
| 5 | 78 | 0.42 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 654 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, engineered).
Compared structures
- 4OAT · The crystal structure of a solute-binding protein (N280D mutant) from Anabaena variabilis… · the same entry in another collection · chain B against B, 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 Q3MFZ5
- Elsewhere: RCSB PDB 4OAT · PDBe 4OAT · UniProt Q3MFZ5
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