MolNFT v1 · #155668 · protein
3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase
6LES · MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL…: “3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability…
- PDB
- 6LES
- Type
- protein
- Length
- 1,472 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL adhesion kinase 1
- EC
- 2.7.10.2
- UniProt
- P0AEX9, Q05397
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL adhesion kinase 1 (EC 2.7.10.2) | protein | 366 | 45% helix, 21% strand | P0AEX9, Q05397 |
| B | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL adhesion kinase 1 (EC 2.7.10.2) | protein | 369 | 46% helix, 21% strand | P0AEX9, Q05397 |
| X | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL adhesion kinase 1 (EC 2.7.10.2) | protein | 367 | 45% helix, 21% strand | P0AEX9, Q05397 |
| Y | MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,FOCAL adhesion kinase 1 (EC 2.7.10.2) | protein | 370 | 45% helix, 21% strand | P0AEX9, Q05397 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B, Y
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1195 | 0.78 | 0.79 | 103 | empty |
| 2 | 1191 | 0.77 | 0.79 | 97 | empty |
| 3 | 385 | 0.60 | 0.76 | 43 | empty |
| 4 | 348 | 0.59 | 0.76 | 49 | empty |
| 5 | 352 | 0.58 | 0.76 | 46 | empty |
Interfaces
3 interfaces between chains.
- X–Y · 11628 Ų buried · 183 hydrogen bonds · protein-protein
- A–B · 11577 Ų buried · 183 hydrogen bonds · protein-protein
- A–X · 173 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6LES · 3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal… · the same entry in another collection · chain Y against Y, TM-score 1.00
- Q05397 · AlphaFold monomer V2.0 prediction for focal adhesion kinase 1 (Q05397) · a predicted model of the same protein · chain A against A, TM-score 0.27
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 P0AEX9
- Every structure of UniProt Q05397
- Elsewhere: RCSB PDB 6LES · PDBe 6LES · UniProt P0AEX9 · UniProt Q05397
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