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Crystal structure of a complex of the src SH2 domain with conformationally constrained peptide inhibitor
Analyse Crystal structure of a complex of the src SH2 domain with conformationally… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IS0
- Type
- protein
- Length
- 210 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase transforming protein src; AY0 glu glu ile peptide
- EC
- 2.7.1.112
- UniProt
- P00524
- Ligands
- AY0
Structure
x-ray diffraction · 2 distinct chains · 17% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tyrosine-protein kinase transforming protein src (EC 2.7.1.112) | protein | 102 | 18% helix, 33% strand | P00524 |
| C, D | AY0 glu glu ile peptide | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- AY0 · (1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy) phenyl]cyclopropanecarboxylic acid · ligand · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- B–D · 306 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 304 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 246 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1IS0 · Crystal Structure of a Complex of the Src SH2 Domain with Conformationally Constrained… · 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 1IS0 · PDBe 1IS0 · UniProt P00524
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