MolNFT v1 · #62456 · protein
Crystal structure of the N114Q mutant of abl-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions
3EG1 · Proto-oncogene tyrosine-protein kinase ABL1: “Crystal structure of the N114Q mutant of abl-SH3 domain complexed with a designed high-affinity peptide…”. X-ray diffraction, 2 ligands (ACE, SO4). MolNFT v1 #62456 on GenesisL1: 3D…
- PDB
- 3EG1
- Type
- protein
- Length
- 134 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase ABL1; P41 peptide
- EC
- 2.7.10.2
- UniProt
- P00519
- Ligands
- ACE, SO4
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 58 | 5% helix, 50% strand | P00519 |
| B | Proto-oncogene tyrosine-protein kinase ABL1 (EC 2.7.10.2) | protein | 56 | 5% helix, 52% strand | P00519 |
| C, D | P41 peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
5 interfaces between chains.
- B–D · 498 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 497 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 392 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 28 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3EG1 · Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed… · the same entry in another collection · chain A against A, TM-score 1.00
- P00519 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase ABL1 (P00519) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P00519
- Elsewhere: RCSB PDB 3EG1 · PDBe 3EG1 · UniProt P00519
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