MolNFT v1 · #21926 · protein
Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal structures of the complexed and peptide-free forms
1SPS: “Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal structures of the complexed…”. X-ray diffraction, 1 pocket (best druggability 0.41). MolNFT v1 #21926 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1SPS
- Type
- protein
- Length
- 332 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Src SH2 domain; Peptide yeei
- UniProt
- P00524, P03079
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 4 distinct chains · 14% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Src SH2 domain | protein | 103 | 17% helix, 33% strand | P00524 |
| D | Peptide yeei | protein | 7 | 0% helix, 14% strand | P03079 |
| E | Peptide yeei | protein | 6 | 0% helix, 17% strand | P03079 |
| F | Peptide yeei | protein | 10 | 0% helix, 10% strand | P03079 |
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 | 115 | 0.41 | 0.76 | 18 | empty |
Interfaces
5 interfaces between chains.
- C–F · 495 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 485 Ų buried · 12 hydrogen bonds · protein-protein
- B–E · 475 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 193 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 175 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 1SPS · Binding of a high affinity phosphotyrosyl peptide to the src SH2 domain: crystal… · the same entry in another collection · chain E against E, 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
- Every structure of UniProt P03079
- Elsewhere: RCSB PDB 1SPS · PDBe 1SPS · UniProt P00524 · UniProt P03079
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