MolNFT v1 · #140572 · protein
Crystal structure of CARNMT1 bound to carnosine and sfg
5YF1 · Carnosine N-methyltransferase: “Crystal structure of CARNMT1 bound to carnosine and sfg”. X-ray diffraction, 3 ligands (SFG, 8V0, CA), 5 pockets (best druggability 0.75). MolNFT v1 #140572 on GenesisL1: 3D structure, binding sites…
- PDB
- 5YF1
- Type
- protein
- Length
- 691 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carnosine N-methyltransferase
- EC
- 2.1.1.22
- UniProt
- Q8N4J0
- Ligands
- SFG, 8V0, CA
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carnosine N-methyltransferase (EC 2.1.1.22) | protein | 340 | 47% helix, 20% strand | Q8N4J0 |
| B | Carnosine N-methyltransferase (EC 2.1.1.22) | protein | 351 | 49% helix, 19% strand | Q8N4J0 |
Ligands and binding sites
- SFG · Sinefungin · ligand · 2 copies · chains A, B
- 8V0 · (2~{S})-2-(3-azanylpropanoylamino)-3-(1~{H}-imidazol-4-yl)propanoic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- ACT · Acetate ion · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.75 | 0.77 | 100 | SFG, 8V0 |
| 2 | 960 | 0.75 | 0.78 | 77 | SFG, 8V0, ACT |
| 3 | 65 | 0.52 | 0.86 | 23 | EDO |
| 4 | 56 | 0.29 | 0.74 | 14 | empty |
| 5 | 57 | 0.27 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2646 Ų buried · 62 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 Q8N4J0
- Elsewhere: RCSB PDB 5YF1 · PDBe 5YF1 · UniProt Q8N4J0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.