Research workbench
Ternary complex of an crk SH2 domain, crk-derived phophopeptide, and abl SH3 domain by NMR spectroscopy
Analyse Ternary complex of an crk SH2 domain, crk-derived phophopeptide, and abl SH3… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JU5
- Type
- protein
- Length
- 182 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crk; Abl
- EC
- 2.7.1.112
- UniProt
- P46108, Q64010, P00519
- Pockets
- 1 · best druggability 0.26
Structure
solution nmr · 3 distinct chains · 10% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crk | protein | 109 | 17% helix, 28% strand | P46108 |
| B | Crk | protein | 13 | 0% helix, 0% strand | Q64010 |
| C | Abl (EC 2.7.1.112) | protein | 60 | 0% helix, 47% strand | P00519 |
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 | 54 | 0.26 | 0.73 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–C · 709 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 427 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 1JU5 · Ternary complex of an Crk SH2 domain, Crk-derived phophopeptide, and Abl SH3 domain by… · 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 C against A, TM-score 0.81
- P46108 · AlphaFold monomer V2.0 prediction for adapter molecule crk (P46108) · a predicted model of the same protein · chain A against A, TM-score 0.77
- Q64010 · AlphaFold monomer V2.0 prediction for adapter molecule crk (Q64010) · a predicted model of the same protein · chain B against A, TM-score 0.31
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 P46108
- Every structure of UniProt Q64010
- Every structure of UniProt P00519
- Elsewhere: RCSB PDB 1JU5 · PDBe 1JU5 · UniProt P46108 · UniProt Q64010 · UniProt P00519
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