MolNFT v1 · #70721 · protein
Crystal structure of CALO1, methyltransferase in calicheamicin biosynthesis, sah bound form
3LST · CALO1 methyltransferase: “Crystal structure of CALO1, methyltransferase in calicheamicin biosynthesis, sah bound form”. X-ray diffraction, 1 ligand (SAH), 2 pockets (best druggability 0.80). MolNFT v1 #70721 on GenesisL1: 3D…
- PDB
- 3LST
- Type
- protein
- Length
- 666 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALO1 methyltransferase
- UniProt
- Q8KNE5
- Ligands
- SAH
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | CALO1 methyltransferase | protein | 333 | 48% helix, 17% strand | Q8KNE5 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.80 | 0.81 | 103 | SAH |
| 2 | 920 | 0.75 | 0.78 | 77 | SAH |
Interfaces
1 interface between chains.
- A–B · 564 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 3LST · Crystal Structure of CalO1, Methyltransferase in Calicheamicin Biosynthesis, SAH bound… · the same entry in another collection · chain A 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 Q8KNE5
- Elsewhere: RCSB PDB 3LST · PDBe 3LST · UniProt Q8KNE5
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