MolNFT v1 · #36160 · protein
Crystal structure of human methyltransferase ad-003 in complex with S-adenosyl-L-homocysteine
2EX4 · Adrenal gland protein ad-003: “Crystal structure of human methyltransferase ad-003 in complex with S-adenosyl-L-homocysteine”. X-ray diffraction, 1 ligand (SAH), 3 pockets (best druggability 0.77). MolNFT v1 #36160 on GenesisL1: 3D…
- PDB
- 2EX4
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adrenal gland protein ad-003
- UniProt
- Q9BV86
- Ligands
- SAH
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Adrenal gland protein ad-003 | protein | 221 | 42% helix, 27% strand | Q9BV86 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.77 | 0.87 | 51 | SAH |
| 2 | 380 | 0.75 | 0.85 | 54 | SAH |
| 3 | 294 | 0.54 | 0.75 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 65 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2EX4 · Crystal Structure of Human methyltransferase AD-003 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BV86 · AlphaFold monomer V2.0 prediction for N-terminal xaa-pro-lys N-methyltransferase 1… · 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 Q9BV86
- Elsewhere: RCSB PDB 2EX4 · PDBe 2EX4 · UniProt Q9BV86
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