Research workbench
Crystal structure of CARM1 with compound 2 and sah
Analyse Crystal structure of CARM1 with compound 2 and sah in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ARV
- Type
- protein
- Length
- 1,376 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone-arginine methyltransferase CARM1
- EC
- 2.1.1.319
- UniProt
- Q86X55
- Ligands
- SAH, BW7
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) | protein | 344 | 30% helix, 36% strand | Q86X55 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 4 copies · chains A, B, C, D
- BW7 · (2R)-1-amino-3-{3-[4-(morpholin-4-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenoxy}propan-2-ol · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 11 copies · chains A, B, C, D
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 | 1145 | 0.85 | 0.86 | 127 | SAH, BW7 |
| 2 | 1141 | 0.84 | 0.85 | 129 | SAH, BW7 |
| 3 | 278 | 0.63 | 0.80 | 27 | empty |
| 4 | 260 | 0.63 | 0.81 | 31 | empty |
| 5 | 105 | 0.42 | 0.77 | 24 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1952 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1900 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 740 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 174 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 167 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6ARV · Crystal structure of CARM1 with Compound 2 and SAH · the same entry in another collection · chain D against D, TM-score 1.00
- Q86X55 · AlphaFold monomer V2.0 prediction for histone-arginine methyltransferase CARM1 (Q86X55) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q86X55
- Elsewhere: RCSB PDB 6ARV · PDBe 6ARV · UniProt Q86X55
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.