MolNFT v1 · #145747 · protein
The structure of an AS(III) S-adenosylmethionine methyltransferase with AS(III) and S-adenosyl-L-homocysteine (sah)
6CX6 · Arsenic methyltransferase: “The structure of an AS(III) S-adenosylmethionine methyltransferase with AS(III) and S-adenosyl-L-homocysteine…”. X-ray diffraction, 2 ligands (SAH, ARS), 8 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 6CX6
- Type
- protein
- Length
- 663 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arsenic methyltransferase
- EC
- 2.1.1.137
- UniProt
- C0JV69
- Ligands
- SAH, ARS
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arsenic methyltransferase (EC 2.1.1.137) | protein | 330 | 30% helix, 22% strand | C0JV69 |
| B | Arsenic methyltransferase (EC 2.1.1.137) | protein | 333 | 30% helix, 22% strand | C0JV69 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
- ARS · Arsenic · metal · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.76 | 0.83 | 51 | empty |
| 2 | 245 | 0.64 | 0.82 | 31 | SAH, ARS |
| 3 | 208 | 0.60 | 0.81 | 31 | SAH, ARS |
| 4 | 166 | 0.50 | 0.78 | 29 | empty |
| 5 | 170 | 0.50 | 0.78 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 930 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6CX6 · The structure of an As(III) S-adenosylmethionine methyltransferase with As(III) and… · 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 C0JV69
- Elsewhere: RCSB PDB 6CX6 · PDBe 6CX6 · UniProt C0JV69
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