MolNFT v1 · #15146 · protein
Ppc decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol
1MVN · Ppc decarboxylase ATHAL3A: “Ppc decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol”. X-ray diffraction, 2 ligands (PCO, FMN), 1 pocket (best druggability 0.38). MolNFT v1 #15146 on GenesisL1: 3D structure…
- PDB
- 1MVN
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ppc decarboxylase ATHAL3A
- EC
- 4.1.1.36
- UniProt
- Q9SWE5
- Ligands
- PCO, FMN
- Pockets
- 1 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ppc decarboxylase ATHAL3A (EC 4.1.1.36) | protein | 182 | 43% helix, 21% strand | Q9SWE5 |
Ligands and binding sites
- PCO · 2,4-dihydroxy-N-[2-(2-mercapto-vinylcarbamoyl)-ethyl]-3,3-dimethyl-butyramide · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.38 | 0.76 | 21 | PCO |
Compared structures
- 1MVN · PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SWE5 · AlphaFold monomer V2.0 prediction for phosphopantothenoylcysteine decarboxylase (Q9SWE5) · 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 Q9SWE5
- Elsewhere: RCSB PDB 1MVN · PDBe 1MVN · UniProt Q9SWE5
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