MolNFT v1 · #57975 · protein
Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with pap
3AP3 · Protein-tyrosine sulfotransferase 2: “Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with pap”. X-ray diffraction, 1 ligand (A3P), 12 pockets (best druggability 0.88). MolNFT v1 #57975 on GenesisL1: 3D…
- PDB
- 3AP3
- Type
- protein
- Length
- 1,145 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-tyrosine sulfotransferase 2
- EC
- 2.8.2.20
- UniProt
- O60704
- Ligands
- A3P
- Pockets
- 12 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 282 | 49% helix, 9% strand | O60704 |
| B | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 285 | 52% helix, 9% strand | O60704 |
| C | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 286 | 52% helix, 9% strand | O60704 |
| D | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 292 | 50% helix, 9% strand | O60704 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 821 | 0.88 | 0.90 | 87 | A3P |
| 2 | 299 | 0.72 | 0.85 | 39 | empty |
| 3 | 345 | 0.71 | 0.84 | 44 | empty |
| 4 | 121 | 0.68 | 0.90 | 25 | A3P |
| 5 | 106 | 0.67 | 0.91 | 23 | A3P |
Interfaces
5 interfaces between chains.
- C–D · 1368 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1252 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 529 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 356 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 214 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3AP3 · Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP · the same entry in another collection · chain D against D, TM-score 1.00
- O60704 · AlphaFold monomer V2.0 prediction for protein-tyrosine sulfotransferase 2 (O60704) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 O60704
- Elsewhere: RCSB PDB 3AP3 · PDBe 3AP3 · UniProt O60704
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