MolNFT v1 · #103426 · protein
The structure of mono-acetylated sahh
4PGF · Adenosylhomocysteinase: “The structure of mono-acetylated sahh”. X-ray diffraction, 2 ligands (NAD, ADN), 7 pockets (best druggability 0.78). MolNFT v1 #103426 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4PGF
- Type
- protein
- Length
- 858 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
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 430 | 44% helix, 17% strand | P23526 |
| B | Adenosylhomocysteinase (EC 3.3.1.1) | protein | 428 | 42% helix, 17% 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
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 821 | 0.78 | 0.81 | 95 | empty |
| 2 | 484 | 0.74 | 0.83 | 64 | NAD, ADN |
| 3 | 422 | 0.72 | 0.82 | 66 | NAD, ADN |
| 4 | 274 | 0.56 | 0.77 | 33 | empty |
| 5 | 280 | 0.53 | 0.75 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 1839 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 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 4PGF · PDBe 4PGF · UniProt P23526
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