MolNFT v1 · #84295 · protein
Greater efficiency of photosynthetic carbon fixation due to single amino acid substitution
3ZGB · Phosphoenolpyruvate carboxylase: “Greater efficiency of photosynthetic carbon fixation due to single amino acid substitution”. X-ray diffraction, 2 ligands (ASP, SO4), 20 pockets (best druggability 0.83). MolNFT v1 #84295 on…
- PDB
- 3ZGB
- Type
- protein
- Length
- 1,835 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxylase
- EC
- 4.1.1.31
- UniProt
- Q01647
- Ligands
- ASP, SO4
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 920 | 65% helix, 6% strand | Q01647 |
| B | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 915 | 65% helix, 6% strand | Q01647 |
Ligands and binding sites
- ASP · Aspartic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 341 | 0.83 | 0.93 | 51 | SO4 |
| 2 | 273 | 0.83 | 0.94 | 39 | SO4 |
| 3 | 921 | 0.81 | 0.83 | 95 | empty |
| 4 | 578 | 0.81 | 0.86 | 52 | empty |
| 5 | 566 | 0.79 | 0.85 | 52 | empty |
Interfaces
1 interface between chains.
- A–B · 809 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- Q01647 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxylase (Q01647) · 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 Q01647
- Elsewhere: RCSB PDB 3ZGB · PDBe 3ZGB · UniProt Q01647
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