Research workbench
Crystal structure of the T-state of maize C4-phosphoenolpyruvate carboxylase in complex with malate
Analyse Crystal structure of the T-state of maize C4-phosphoenolpyruvate carboxylase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6U2T
- Type
- protein
- Length
- 3,671 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxylase
- EC
- 4.1.1.31
- UniProt
- Q84KR7
- Ligands
- MLT, SO4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 919 | 64% helix, 6% strand | Q84KR7 |
| B | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 915 | 64% helix, 5% strand | Q84KR7 |
| C | Phosphoenolpyruvate carboxylase (EC 4.1.1.31) | protein | 918 | 64% helix, 6% strand | Q84KR7 |
Ligands and binding sites
- MLT · D-malate · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains D
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 | 1151 | 0.84 | 0.85 | 128 | SO4 |
| 2 | 1149 | 0.83 | 0.84 | 110 | SO4 |
| 3 | 198 | 0.82 | 0.96 | 32 | MLT |
| 4 | 186 | 0.82 | 0.96 | 32 | MLT |
| 5 | 186 | 0.81 | 0.96 | 31 | MLT |
Interfaces
4 interfaces between chains.
- A–B · 1964 Ų buried · 49 hydrogen bonds · protein-protein
- C–D · 1875 Ų buried · 39 hydrogen bonds · protein-protein
- B–D · 790 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 757 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6U2T · Crystal structure of the T-state of maize C4-phosphoenolpyruvate carboxylase in complex… · the same entry in another collection · chain A 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 Q84KR7
- Elsewhere: RCSB PDB 6U2T · PDBe 6U2T · UniProt Q84KR7
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