MolNFT v1 · #122537 · protein
Crystal structure of mouse CARM1 in complex with decarboxylated sah
5IS7 · Histone-arginine methyltransferase CARM1: “Crystal structure of mouse CARM1 in complex with decarboxylated sah”. X-ray diffraction, 1 ligand (DSH), 5 pockets (best druggability 0.83). MolNFT v1 #122537 on GenesisL1: 3D structure…
- PDB
- 5IS7
- Type
- protein
- Length
- 1,366 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
- Q9WVG6
- Ligands
- DSH
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) | protein | 343 | 28% helix, 36% strand | Q9WVG6 |
| B | Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) | protein | 342 | 30% helix, 36% strand | Q9WVG6 |
| C | Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) | protein | 341 | 27% helix, 36% strand | Q9WVG6 |
| D | Histone-arginine methyltransferase CARM1 (EC 2.1.1.319) | protein | 340 | 30% helix, 36% strand | Q9WVG6 |
Ligands and binding sites
- DSH · 5'-S-(3-aminopropyl)-5'-thioadenosine · ligand · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1079 | 0.83 | 0.84 | 113 | DSH |
| 2 | 1070 | 0.83 | 0.84 | 123 | PEG, DSH, EDO |
| 3 | 428 | 0.69 | 0.80 | 51 | empty |
| 4 | 223 | 0.51 | 0.76 | 31 | empty |
| 5 | 65 | 0.29 | 0.74 | 15 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1955 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1952 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 757 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 189 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 187 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5IS7 · Crystal structure of mouse CARM1 in complex with decarboxylated SAH · the same entry in another collection · chain D against D, TM-score 1.00
- Q9WVG6 · AlphaFold monomer V2.0 prediction for histone-arginine methyltransferase CARM1 (Q9WVG6) · a predicted model of the same protein · 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 Q9WVG6
- Elsewhere: RCSB PDB 5IS7 · PDBe 5IS7 · UniProt Q9WVG6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.