MolNFT v1 · #71786 · protein
The structure of rat cytosolic pepck mutant A467G in complex with phosphoglycolate and GDP
3MOH · Phosphoenolpyruvate carboxykinase, cytosolic [GTP]: “The structure of rat cytosolic pepck mutant A467G in complex with phosphoglycolate and GDP”. X-ray diffraction, 4 ligands (GDP, PGA, MN), 14 pockets (best druggability 0.79).…
- PDB
- 3MOH
- Type
- protein
- Length
- 1,217 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
- EC
- 4.1.1.32
- UniProt
- P07379
- Ligands
- GDP, PGA, MN, NA
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (EC 4.1.1.32) | protein | 604 | 30% helix, 24% strand | P07379 |
| B | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (EC 4.1.1.32) | protein | 613 | 30% helix, 23% strand | P07379 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- PGA · 2-phosphoglycolic acid · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 891 | 0.79 | 0.82 | 103 | empty |
| 2 | 279 | 0.72 | 0.86 | 44 | GDP, MN, PGA |
| 3 | 545 | 0.72 | 0.80 | 59 | GDP, MN, PGA |
| 4 | 150 | 0.60 | 0.83 | 20 | empty |
| 5 | 155 | 0.59 | 0.82 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 556 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3MOH · The structure of rat cytosolic PEPCK mutant A467G in complex with phosphoglycolate and GDP · the same entry in another collection · chain A against A, TM-score 1.00
- P07379 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxykinase, cytosolic [GTP]… · a predicted model of the same protein · chain B against A, 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 P07379
- Elsewhere: RCSB PDB 3MOH · PDBe 3MOH · UniProt P07379
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