MolNFT v1 · #27012 · protein
The crystal structure of human 3'-phosphoadenosine-5'-phosphosulfate synthetase 1
1X6V · Bifunctional 3'-phosphoadenosine 5'-phosphosulfate…: “The crystal structure of human 3'-phosphoadenosine-5'-phosphosulfate synthetase 1”. X-ray diffraction, 2 ligands (ADP, CL), 13 pockets (best druggability 0.77). MolNFT v1 #27012…
- PDB
- 1X6V
- Type
- protein
- Length
- 1,150 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1
- EC
- 2.7.7.4, 2.7.1.25
- UniProt
- O43252
- Ligands
- ADP, CL
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (EC 2.7.7.4, 2.7.1.25) | protein | 586 | 40% helix, 18% strand | O43252 |
| A | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (EC 2.7.7.4, 2.7.1.25) | protein | 564 | 41% helix, 18% strand | O43252 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 624 | 0.77 | 0.82 | 49 | CL |
| 2 | 684 | 0.75 | 0.81 | 63 | empty |
| 3 | 584 | 0.73 | 0.81 | 49 | CL |
| 4 | 476 | 0.67 | 0.78 | 44 | ADP |
| 5 | 56 | 0.46 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 3090 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 1X6V · The crystal structure of human 3'-phosphoadenosine-5'-phosphosulfate synthetase 1 · the same entry in another collection · chain B against B, TM-score 1.00
- O43252 · AlphaFold monomer V2.0 prediction for bifunctional 3'-phosphoadenosine 5'-phosphosulfate… · a predicted model of the same protein · chain B 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 O43252
- Elsewhere: RCSB PDB 1X6V · PDBe 1X6V · UniProt O43252
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