Research workbench
Aps complex of human paps synthetase 1
Analyse Aps complex of human paps synthetase 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XNJ
- Type
- protein
- Length
- 1,152 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
- ADX, ADP
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 40% 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 | 590 | 39% helix, 18% strand | O43252 |
| A | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 1 (EC 2.7.7.4, 2.7.1.25) | protein | 562 | 41% helix, 18% strand | O43252 |
Ligands and binding sites
- ADX · Adenosine-5'-phosphosulfate · ligand · 3 copies · chains B, A
- ADP · Adenosine-5'-diphosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 493 | 0.75 | 0.83 | 49 | ADX |
| 2 | 689 | 0.75 | 0.80 | 66 | empty |
| 3 | 467 | 0.74 | 0.83 | 48 | ADX |
| 4 | 266 | 0.60 | 0.79 | 30 | ADX |
| 5 | 50 | 0.42 | 0.83 | 15 | empty |
Interfaces
1 interface between chains.
- B–A · 3064 Ų buried · 39 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 O43252
- Elsewhere: RCSB PDB 1XNJ · PDBe 1XNJ · UniProt O43252
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