MolNFT v1 · #38420 · protein
Crystal structure of tmdp
2GWO · Dual specificity protein phosphatase 13: “Crystal structure of tmdp”. X-ray diffraction, 3 pockets (best druggability 0.82). MolNFT v1 #38420 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GWO
- Type
- protein
- Length
- 686 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein phosphatase 13
- EC
- 3.1.3.48, 3.1.3.16
- UniProt
- Q9UII6
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dual specificity protein phosphatase 13 (EC 3.1.3.48, 3.1.3.16) | protein | 169 | 46% helix, 14% strand | Q9UII6 |
| C, D | Dual specificity protein phosphatase 13 (EC 3.1.3.48, 3.1.3.16) | protein | 174 | 46% helix, 14% strand | Q9UII6 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.82 | 0.86 | 98 | empty |
| 2 | 639 | 0.81 | 0.86 | 79 | empty |
| 3 | 82 | 0.51 | 0.84 | 18 | empty |
Interfaces
4 interfaces between chains.
- C–D · 898 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 869 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 663 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 275 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
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 Q9UII6
- Elsewhere: RCSB PDB 2GWO · PDBe 2GWO · UniProt Q9UII6
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