MolNFT v1 · #11572 · protein
Crystal structure of C4-form phosphoenolpyruvate carboxylase from maize
1JQO: “Crystal structure of C4-form phosphoenolpyruvate carboxylase from maize”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.85). MolNFT v1 #11572 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1JQO
- Type
- protein
- Length
- 1,808 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxylase
- EC
- 4.1.1.31
- UniProt
- P04711
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 904 | 62% helix, 6% strand | P04711 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 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 | 927 | 0.85 | 0.86 | 76 | empty |
| 2 | 769 | 0.84 | 0.87 | 80 | empty |
| 3 | 145 | 0.81 | 0.97 | 32 | empty |
| 4 | 425 | 0.81 | 0.89 | 44 | SO4 |
| 5 | 128 | 0.80 | 0.97 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 3205 Ų buried · 59 hydrogen bonds · protein-protein
Compared structures
- 1JQO · Crystal structure of C4-form phosphoenolpyruvate carboxylase from maize · the same entry in another collection · chain A against A, TM-score 1.00
- P04711 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxylase 1 (P04711) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P04711
- Elsewhere: RCSB PDB 1JQO · PDBe 1JQO · UniProt P04711
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