MolNFT v1 · #19148 · protein
Crystal structure of MN(2+)-bound phosphoenolpyruvate carboxylase
1QB4: “Crystal structure of MN(2+)-bound phosphoenolpyruvate carboxylase”. X-ray diffraction, 2 ligands (ASP, MN), 14 pockets (best druggability 0.84). MolNFT v1 #19148 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1QB4
- Type
- protein
- Length
- 873 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxylase
- EC
- 4.1.1.31
- UniProt
- P00864
- Ligands
- ASP, MN
- Pockets
- 14 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 873 | 67% helix, 5% strand | P00864 |
Ligands and binding sites
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 | 457 | 0.84 | 0.91 | 53 | empty |
| 2 | 421 | 0.79 | 0.88 | 50 | empty |
| 3 | 99 | 0.77 | 0.98 | 23 | empty |
| 4 | 349 | 0.76 | 0.86 | 36 | ASP |
| 5 | 496 | 0.65 | 0.77 | 62 | empty |
Compared structures
- 1QB4 · Crystal structure of MN(2+)-bound phosphoenolpyruvate carboxylase · the same entry in another collection · chain A against A, TM-score 1.00
- P00864 · AlphaFold monomer V2.0 prediction for phosphoenolpyruvate carboxylase (P00864) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P00864
- Elsewhere: RCSB PDB 1QB4 · PDBe 1QB4 · UniProt P00864
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