MolNFT v1 · #172442 · protein
Crystal structure of the fyn SH3 domain A95S-D99T mutant in space group P21
7A2N · Tyrosine-protein kinase fyn: “Crystal structure of the fyn SH3 domain A95S-D99T mutant in space group P21”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability 0.26). MolNFT v1 #172442 on GenesisL1: 3D structure, binding…
- PDB
- 7A2N
- Type
- protein
- Length
- 235 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase fyn
- EC
- 2.7.10.2
- UniProt
- P06241
- Ligands
- NA
- Pockets
- 1 · best druggability 0.26
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase fyn (EC 2.7.10.2) | protein | 59 | 5% helix, 46% strand | P06241 |
| B, D | Tyrosine-protein kinase fyn (EC 2.7.10.2) | protein | 59 | 5% helix, 41% strand | P06241 |
| C | Tyrosine-protein kinase fyn (EC 2.7.10.2) | protein | 58 | 5% helix, 48% strand | P06241 |
Ligands and binding sites
- NA · Sodium ion · metal · 12 copies · chains A, B, C, D
- FMT · Formic acid · additive · 9 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.26 | 0.74 | 13 | FMT |
Interfaces
5 interfaces between chains.
- A–B · 422 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 411 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 380 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 333 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 317 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 7A2N · Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21 · the same entry in another collection · chain D against D, TM-score 1.00
- P06241 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase fyn (P06241) · a predicted model of the same protein · chain C against A, TM-score 0.93
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 P06241
- Elsewhere: RCSB PDB 7A2N · PDBe 7A2N · UniProt P06241
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