MolNFT v1 · #166449 · protein
Crystal structure of R421A variant of cytosolic fumarate hydratase from leishmania major in a complex with S-malate
6UQ9 · Fumarate hydratase 2: “Crystal structure of R421A variant of cytosolic fumarate hydratase from leishmania major in a complex with…”. X-ray diffraction, 2 ligands (LMR, SF4), 10 pockets (best druggability 0.84). MolNFT v1 #166449 on…
- PDB
- 6UQ9
- Type
- protein
- Length
- 1,064 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
- LMR, SF4
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase 2 (EC 4.2.1.2) | protein | 533 | 31% helix, 29% strand | E9AE57 |
| B | Fumarate hydratase 2 (EC 4.2.1.2) | protein | 531 | 33% helix, 29% strand | E9AE57 |
Ligands and binding sites
- LMR · (2S)-2-hydroxybutanedioic acid · ligand · 2 copies · chains A, B
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.84 | 0.84 | 129 | empty |
| 2 | 82 | 0.73 | 0.97 | 33 | LMR, SF4 |
| 3 | 86 | 0.73 | 0.96 | 32 | LMR, SF4 |
| 4 | 204 | 0.48 | 0.75 | 28 | GOL |
| 5 | 198 | 0.47 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 4255 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 6UQ9 · Crystal structure of R421A variant of cytosolic fumarate hydratase from Leishmania major… · 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 6UQ9 · PDBe 6UQ9 · UniProt E9AE57
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