Research workbench
Sall with S-adenosyl methionine
Analyse Sall with S-adenosyl methionine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RYZ
- Type
- protein
- Length
- 797 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosyl-chloride synthase
- EC
- 2.5.1.94
- UniProt
- A4X3Q0
- Ligands
- SAM, CL
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosyl-chloride synthase (EC 2.5.1.94) | protein | 267 | 25% helix, 33% strand | A4X3Q0 |
| B | Adenosyl-chloride synthase (EC 2.5.1.94) | protein | 264 | 25% helix, 32% strand | A4X3Q0 |
| C | Adenosyl-chloride synthase (EC 2.5.1.94) | protein | 266 | 24% helix, 33% strand | A4X3Q0 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 3 copies · chains A, C, B
- CL · Chloride ion · ion · 3 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.81 | 0.98 | 28 | SAM, CL |
| 2 | 126 | 0.80 | 0.98 | 26 | CL, SAM |
| 3 | 142 | 0.80 | 0.97 | 28 | CL, SAM |
| 4 | 390 | 0.78 | 0.88 | 52 | empty |
| 5 | 177 | 0.53 | 0.79 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1191 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 1174 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1166 Ų buried · 12 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 A4X3Q0
- Elsewhere: RCSB PDB 6RYZ · PDBe 6RYZ · UniProt A4X3Q0
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