MolNFT v1 · #63381 · protein
Interaction of vhr with SA3
3F81 · Dual specificity protein phosphatase 3: “Interaction of vhr with SA3”. X-ray diffraction, 1 ligand (STT), 2 pockets (best druggability 0.48). MolNFT v1 #63381 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3F81
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein phosphatase 3
- EC
- 3.1.3.48, 3.1.3.16
- UniProt
- P51452
- Ligands
- STT
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dual specificity protein phosphatase 3 (EC 3.1.3.48, 3.1.3.16) | protein | 179 | 45% helix, 13% strand | P51452 |
Ligands and binding sites
- STT · 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.48 | 0.76 | 19 | empty |
| 2 | 122 | 0.42 | 0.77 | 28 | STT |
Interfaces
1 interface between chains.
- A–B · 368 Ų buried · 5 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 P51452
- Elsewhere: RCSB PDB 3F81 · PDBe 3F81 · UniProt P51452
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