MolNFT v1 · #21925 · protein
Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal structures of the complexed and peptide-free forms
1SPR · Src tyrosine kinase SH2 domain: “Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal structures of the complexed…”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.39). MolNFT v1 #21925…
- PDB
- 1SPR
- Type
- protein
- Length
- 413 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Src tyrosine kinase SH2 domain
- UniProt
- P00524
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Src tyrosine kinase SH2 domain | protein | 103 | 17% helix, 30% strand | P00524 |
| B | Src tyrosine kinase SH2 domain | protein | 104 | 17% helix, 30% strand | P00524 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.39 | 0.74 | 20 | empty |
| 2 | 133 | 0.39 | 0.74 | 17 | empty |
| 3 | 62 | 0.32 | 0.76 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–C · 122 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 81 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1SPR · Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal… · 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 P00524
- Elsewhere: RCSB PDB 1SPR · PDBe 1SPR · UniProt P00524
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