Research workbench
Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the allosteric activator glucose-6-phosphate in its allosteric site
Analyse Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MGI
- Type
- protein
- Length
- 1,826 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxylase
- EC
- 4.1.1.31
- UniProt
- Q84KR7
- Ligands
- GLY, PGA, G6P
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 915 | 64% helix, 6% strand | Q84KR7 |
| B | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 911 | 64% helix, 6% strand | Q84KR7 |
Ligands and binding sites
- GLY · Glycine · ligand · 2 copies · chains A, B
- PGA · 2-phosphoglycolic acid · ligand · 2 copies · chains A, B
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- GOL · Glycerol · 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1144 | 0.84 | 0.85 | 107 | empty |
| 2 | 971 | 0.82 | 0.83 | 76 | empty |
| 3 | 363 | 0.80 | 0.90 | 39 | G6P, EDO |
| 4 | 337 | 0.80 | 0.90 | 41 | G6P |
| 5 | 816 | 0.78 | 0.81 | 73 | empty |
Interfaces
1 interface between chains.
- A–B · 3504 Ų buried · 65 hydrogen bonds · protein-protein
Compared structures
- 6MGI · Photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize complexed with the… · the same entry in another collection · chain B against B, TM-score 1.00
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 Q84KR7
- Elsewhere: RCSB PDB 6MGI · PDBe 6MGI · UniProt Q84KR7
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