Research workbench
Crystal structure of cytosolic fumarate hydratase from leishmania major in a complex with malonate
Analyse Crystal structure of cytosolic fumarate hydratase from leishmania major in a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6UOI
- Type
- protein
- Length
- 1,067 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate hydratase 2
- EC
- 4.2.1.2
- UniProt
- E9AE57
- Ligands
- F3S, FE
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase 2 (EC 4.2.1.2) | protein | 535 | 32% helix, 29% strand | E9AE57 |
| B | Fumarate hydratase 2 (EC 4.2.1.2) | protein | 532 | 32% helix, 28% strand | E9AE57 |
Ligands and binding sites
- F3S · FE3-S4 cluster · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- MLA · Malonic acid · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1090 | 0.85 | 0.85 | 120 | MLA, GOL |
| 2 | 69 | 0.73 | 0.98 | 25 | MLA, F3S |
| 3 | 73 | 0.73 | 0.97 | 25 | MLA, F3S |
| 4 | 222 | 0.49 | 0.75 | 30 | FE |
| 5 | 134 | 0.46 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 4275 Ų buried · 69 hydrogen bonds · protein-protein
Compared structures
- 6UOI · Crystal structure of cytosolic fumarate hydratase from Leishmania major in a complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- E9AE57 · AlphaFold monomer V2.0 prediction for fumarate hydratase 2 (E9AE57) · 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 E9AE57
- Elsewhere: RCSB PDB 6UOI · PDBe 6UOI · UniProt E9AE57
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