MolNFT v1 · #40723 · protein
Apo & sulphate bound forms of sdp-1
2J16 · Tyrosine-protein phosphatase YIL113W: “Apo & sulphate bound forms of sdp-1”. X-ray diffraction, 2 ligands (MG, SO4), 2 pockets (best druggability 0.51). MolNFT v1 #40723 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2J16
- Type
- protein
- Length
- 276 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase YIL113W
- EC
- 3.1.3.48
- UniProt
- P40479
- Ligands
- MG, SO4
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase YIL113W (EC 3.1.3.48) | protein | 133 | 44% helix, 17% strand | P40479 |
| B | Tyrosine-protein phosphatase YIL113W (EC 3.1.3.48) | protein | 143 | 41% helix, 14% strand | P40479 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.51 | 0.76 | 24 | empty |
| 2 | 75 | 0.38 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 727 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (oxidation).
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 P40479
- Elsewhere: RCSB PDB 2J16 · PDBe 2J16 · UniProt P40479
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