Research workbench
The structure of bi-acetylated sahh
Analyse The structure of bi-acetylated sahh in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PFJ
- Type
- protein
- Length
- 857 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosylhomocysteinase
- EC
- 3.3.1.1
- UniProt
- P23526
- Ligands
- NAD, ADN
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 430 | 45% helix, 16% strand | P23526 |
| B | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 427 | 43% helix, 16% strand | P23526 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- ADN · Adenosine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 767 | 0.78 | 0.82 | 88 | empty |
| 2 | 360 | 0.73 | 0.85 | 48 | NAD, ADN |
| 3 | 429 | 0.72 | 0.82 | 68 | NAD, ADN |
| 4 | 257 | 0.55 | 0.76 | 32 | empty |
| 5 | 274 | 0.54 | 0.75 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 1853 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (acetylation).
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 P23526
- Elsewhere: RCSB PDB 4PFJ · PDBe 4PFJ · UniProt P23526
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