MolNFT v1 · #187899 · protein
Crystal structure of a superbinder fes SH2 domain (sfess) in complex with a high affinity phosphopeptide
7T1L · Tyrosine-protein kinase FES/FPS: “Crystal structure of a superbinder fes SH2 domain (sfess) in complex with a high affinity phosphopeptide”. X-ray diffraction, 2 ligands (NA, CL), 2 pockets (best druggability 0.36). MolNFT v1…
- PDB
- 7T1L
- Type
- protein
- Length
- 211 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase FES/FPS; Synthetic phosphotyrosine-containing ezrin-derived…
- EC
- 2.7.10.2
- UniProt
- P07332, P15311
- Ligands
- NA, CL
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 3 distinct chains · 22% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase FES/FPS (EC 2.7.10.2) | protein | 99 | 21% helix, 30% strand | P07332 |
| B | Tyrosine-protein kinase FES/FPS (EC 2.7.10.2) | protein | 100 | 24% helix, 27% strand | P07332 |
| C, D | Synthetic phosphotyrosine-containing ezrin-derived peptide | protein | 6 | 0% helix, 17% strand | P15311 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.36 | 0.78 | 14 | empty |
| 2 | 53 | 0.30 | 0.76 | 12 | empty |
Interfaces
6 interfaces between chains.
- B–D · 419 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 409 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 353 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 352 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 285 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7T1L · Crystal structure of a superbinder Fes SH2 domain (sFesS) in complex with a high affinity… · the same entry in another collection · chain D against D, TM-score 1.00
- P07332 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase FES/FPS (P07332) · a predicted model of the same protein · chain A against A, TM-score 0.94
- P15311 · AlphaFold monomer V2.0 prediction for ezrin (P15311) · a predicted model of the same protein · chain C against A, TM-score 0.64
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 P07332
- Every structure of UniProt P15311
- Elsewhere: RCSB PDB 7T1L · PDBe 7T1L · UniProt P07332 · UniProt P15311
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