MolNFT v1 · #105099 · protein
Crystal structure of PTPN3 (PTPH1) in complex with a dually phosphorylated MAPK12 peptide
4QUM · Tyrosine-protein phosphatase non-receptor type 3: “Crystal structure of PTPN3 (PTPH1) in complex with a dually phosphorylated MAPK12 peptide”. X-ray diffraction, 3 pockets (best druggability 0.40). MolNFT v1 #105099 on GenesisL1: 3D…
- PDB
- 4QUM
- Type
- protein
- Length
- 288 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 3; Mitogen-activated protein kinase 12
- EC
- 3.1.3.48, 2.7.11.24
- UniProt
- P26045, P53778
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 3 (EC 3.1.3.48) | protein | 280 | 35% helix, 24% strand | P26045 |
| B | Mitogen-activated protein kinase 12 (EC 2.7.11.24) | protein | 8 | 0% helix, 0% strand | P53778 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.40 | 0.78 | 15 | empty |
| 2 | 92 | 0.40 | 0.76 | 14 | empty |
| 3 | 76 | 0.31 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 681 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 4QUM · Crystal structure of PTPN3 (PTPH1) in complex with a dually phosphorylated MAPK12 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P26045 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 3… · a predicted model of the same protein · chain A against A, TM-score 0.99
- P53778 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 12 (P53778) · a predicted model of the same protein · chain B against A, TM-score 0.53
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 P26045
- Every structure of UniProt P53778
- Elsewhere: RCSB PDB 4QUM · PDBe 4QUM · UniProt P26045 · UniProt P53778
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