Research workbench
Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1
Analyse Crystal structure of human dual specificity phosphatase 1 catalytic domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6APX
- Type
- protein
- Length
- 602 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose-binding periplasmic PROTEIN,DUAL specificity protein phosphatase 1; Monobody YSX1
- EC
- 3.1.3.16, 3.1.3.48
- UniProt
- P0AEX9, P28562
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose-binding periplasmic PROTEIN,DUAL specificity protein phosphatase 1 (EC 3.1.3.16, 3.1.3.48) | protein | 510 | 45% helix, 20% strand | P0AEX9, P28562 |
| B | Monobody YSX1 | protein | 92 | 3% helix, 55% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1131 | 0.82 | 0.83 | 85 | SO4 |
| 2 | 422 | 0.69 | 0.80 | 45 | empty |
| 3 | 115 | 0.46 | 0.78 | 19 | empty |
| 4 | 52 | 0.28 | 0.74 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1288 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6APX · Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a… · the same entry in another collection · chain A against A, TM-score 1.00
- P28562 · AlphaFold monomer V2.0 prediction for dual specificity protein phosphatase 1 (P28562) · a predicted model of the same protein · chain A against A, TM-score 0.30
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 P0AEX9
- Every structure of UniProt P28562
- Elsewhere: RCSB PDB 6APX · PDBe 6APX · UniProt P0AEX9 · UniProt P28562
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