MolNFT v1 · #15061 · protein
The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant.
1MSV: “The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant.”. X-ray diffraction, 1 ligand (PUT), 6 pockets (best druggability 0.68). MolNFT v1 #15061 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1MSV
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-adenosylmethionine decarboxylase proenzyme
- EC
- 4.1.1.50
- UniProt
- P17707
- Ligands
- PUT
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-adenosylmethionine decarboxylase proenzyme (EC 4.1.1.50) | protein | 319 | 21% helix, 38% strand | P17707 |
| B | S-adenosylmethionine decarboxylase proenzyme (EC 4.1.1.50) | protein | 320 | 21% helix, 38% strand | P17707 |
Ligands and binding sites
- PUT · 1,4-diaminobutane · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.68 | 0.91 | 24 | empty |
| 2 | 281 | 0.60 | 0.79 | 39 | empty |
| 3 | 206 | 0.54 | 0.78 | 35 | empty |
| 4 | 205 | 0.49 | 0.76 | 27 | empty |
| 5 | 138 | 0.42 | 0.75 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1069 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1MSV · The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant. · the same entry in another collection · chain A against A, 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 0.99
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 P17707
- Elsewhere: RCSB PDB 1MSV · PDBe 1MSV · UniProt P17707
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.