MolNFT v1 · #80661 · protein
Crystal structure of HSULT1A1 bound to pap
3U3J · Sulfotransferase 1A1: “Crystal structure of HSULT1A1 bound to pap”. X-ray diffraction, 1 ligand (A3P), 5 pockets (best druggability 0.85). MolNFT v1 #80661 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3U3J
- Type
- protein
- Length
- 574 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase 1A1
- EC
- 2.8.2.1
- UniProt
- P50225
- Ligands
- A3P
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sulfotransferase 1A1 (EC 2.8.2.1) | protein | 287 | 45% helix, 11% strand | P50225 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.85 | 0.94 | 59 | A3P |
| 2 | 297 | 0.84 | 0.94 | 56 | A3P |
| 3 | 173 | 0.43 | 0.74 | 23 | empty |
| 4 | 79 | 0.36 | 0.76 | 17 | empty |
| 5 | 52 | 0.33 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 267 Ų buried · 7 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 P50225
- Elsewhere: RCSB PDB 3U3J · PDBe 3U3J · UniProt P50225
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