MolNFT v1 · #62766 · protein
Human adometdc E178Q mutant complexed with putrescine
3EPA · S-adenosylmethionine decarboxylase beta chain: “Human adometdc E178Q mutant complexed with putrescine”. X-ray diffraction, 2 ligands (PYR, PUT), 3 pockets (best druggability 0.70). MolNFT v1 #62766 on GenesisL1: 3D structure…
- PDB
- 3EPA
- Type
- protein
- Length
- 308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine decarboxylase beta chain; S-adenosylmethionine decarboxylase alpha…
- EC
- 4.1.1.50
- UniProt
- P17707
- Ligands
- PYR, PUT
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | S-adenosylmethionine decarboxylase beta chain (EC 4.1.1.50) | protein | 54 | 22% helix, 37% strand | P17707 |
| A | S-adenosylmethionine decarboxylase alpha chain (EC 4.1.1.50) | protein | 254 | 25% helix, 38% strand | P17707 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · chains B, A
- PUT · 1,4-diaminobutane · ligand · chains B, A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B, A
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 | 50 | 0.70 | 0.98 | 18 | PUT |
| 2 | 172 | 0.63 | 0.84 | 25 | TRS, PYR |
| 3 | 188 | 0.52 | 0.78 | 36 | empty |
Interfaces
1 interface between chains.
- B–A · 3040 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3EPA · Human AdoMetDC E178Q mutant complexed with putrescine · the same entry in another collection · chain B against B, TM-score 1.00
- P17707 · AlphaFold monomer V2.0 prediction for S-adenosylmethionine decarboxylase proenzyme… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P17707
- Elsewhere: RCSB PDB 3EPA · PDBe 3EPA · UniProt P17707
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.