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Crystal structure of fumarylpyruvate hydrolase from corynebacterium glutamicum in complex with MN2+ and pyruvate
Analyse Crystal structure of fumarylpyruvate hydrolase from corynebacterium glutamicum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6J5X
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Predicted 2-keto-4-pentenoate HYDRATASE/2-oxohepta-3-ene-1, 7-dioic acid hydratase
- UniProt
- A0A1R4GQY2
- Ligands
- PYR, MN, SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Predicted 2-keto-4-pentenoate HYDRATASE/2-oxohepta-3-ene-1, 7-dioic acid hydratase | protein | 280 | 20% helix, 35% strand | A0A1R4GQY2 |
Ligands and binding sites
- PYR · Pyruvic acid · ligand · chains B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.60 | 0.91 | 19 | PYR |
| 2 | 283 | 0.59 | 0.78 | 39 | SO4 |
| 3 | 196 | 0.49 | 0.76 | 54 | empty |
Interfaces
1 interface between chains.
- A–B · 1767 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 6J5X · Crystal structure of fumarylpyruvate hydrolase from Corynebacterium glutamicum 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 A0A1R4GQY2
- Elsewhere: RCSB PDB 6J5X · PDBe 6J5X · UniProt A0A1R4GQY2
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