MolNFT v1 · #106221 · protein
Arsm ARSENIC(III) S-adenosylmethionine methyltransferase with trivalent phenyl arsencial derivative-roxarsone
4RSR · Arsenic methyltransferase: “Arsm ARSENIC(III) S-adenosylmethionine methyltransferase with trivalent phenyl arsencial derivative-roxarsone”. X-ray diffraction, 4 ligands (RXO, CA, MG), 2 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 4RSR
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arsenic methyltransferase
- UniProt
- C0JV69
- Ligands
- RXO, CA, MG, NA
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arsenic methyltransferase | protein | 329 | 34% helix, 24% strand | C0JV69 |
Ligands and binding sites
- RXO · 4-arsanyl-2-nitrophenol · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.68 | 0.78 | 74 | RXO, CA |
| 2 | 50 | 0.34 | 0.79 | 14 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4RSR · ArsM arsenic(III) S-adenosylmethionine methyltransferase with trivalent phenyl arsencial… · 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 4RSR · PDBe 4RSR · UniProt C0JV69
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