Research workbench
Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain
Analyse Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6C7Y
- Type
- protein
- Length
- 391 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase JAK1; Suppressor of cytokine signaling 1
- EC
- 2.7.10.2
- UniProt
- P23458, B6RCQ2
- Ligands
- ADP, MG
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase JAK1 (EC 2.7.10.2) | protein | 274 | 39% helix, 16% strand | P23458 |
| B | Suppressor of cytokine signaling 1 | protein | 117 | 27% helix, 27% strand | B6RCQ2 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.72 | 0.85 | 42 | ADP, MG |
| 2 | 58 | 0.55 | 0.88 | 12 | empty |
| 3 | 119 | 0.55 | 0.83 | 25 | EDO |
| 4 | 70 | 0.49 | 0.84 | 16 | empty |
| 5 | 59 | 0.38 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1327 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6C7Y · Crystal structure of inhibitory protein SOCS1 in complex with JAK1 kinase domain · 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 P23458
- Every structure of UniProt B6RCQ2
- Elsewhere: RCSB PDB 6C7Y · PDBe 6C7Y · UniProt P23458 · UniProt B6RCQ2
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