Research workbench
Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with pap and C4 peptide
Analyse Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with pap… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AP1
- Type
- protein
- Length
- 613 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-tyrosine sulfotransferase 2; C4 peptide
- EC
- 2.8.2.20
- UniProt
- O60704
- Ligands
- A3P
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 298 | 50% helix, 10% strand | O60704 |
| B | Protein-tyrosine sulfotransferase 2 (EC 2.8.2.20) | protein | 297 | 49% helix, 10% strand | O60704 |
| S, T | C4 peptide | protein | 9 | 0% helix, 11% strand | — |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.76 | 0.93 | 31 | A3P |
| 2 | 153 | 0.72 | 0.91 | 31 | A3P |
| 3 | 194 | 0.53 | 0.78 | 22 | empty |
| 4 | 111 | 0.43 | 0.77 | 19 | empty |
| 5 | 116 | 0.36 | 0.73 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1603 Ų buried · 14 hydrogen bonds · protein-protein
- B–T · 673 Ų buried · 14 hydrogen bonds · protein-protein
- A–S · 658 Ų buried · 17 hydrogen bonds · protein-protein
- A–T · 237 Ų buried · 4 hydrogen bonds · protein-protein
- B–S · 233 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3AP1 · Crystal structure of human tyrosylprotein sulfotransferase-2 complexed with PAP and C4… · the same entry in another collection · chain A against A, 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 3AP1 · PDBe 3AP1 · UniProt O60704
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