MolNFT v1 · #181417 · protein
Crystal structure of recombinant human fumarase in complex with D-2- amino-3-phosphono-propionic acid
7LUB · Fumarate hydratase, mitochondrial: “Crystal structure of recombinant human fumarase in complex with D-2- amino-3-phosphono-propionic acid”. X-ray diffraction, 1 ligand (APO), 13 pockets (best druggability 0.68). MolNFT v1 #181417 on…
- PDB
- 7LUB
- Type
- protein
- Length
- 922 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate hydratase, mitochondrial
- EC
- 4.2.1.2
- UniProt
- P07954
- Ligands
- APO
- Pockets
- 13 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase, mitochondrial (EC 4.2.1.2) | protein | 460 | 59% helix, 8% strand | P07954 |
| B | Fumarate hydratase, mitochondrial (EC 4.2.1.2) | protein | 462 | 61% helix, 8% strand | P07954 |
Ligands and binding sites
- APO · D-2-amino-3-phosphono-propionic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.68 | 0.95 | 15 | GOL |
| 2 | 698 | 0.67 | 0.76 | 50 | APO, GOL |
| 3 | 654 | 0.65 | 0.75 | 49 | empty |
| 4 | 126 | 0.53 | 0.81 | 26 | empty |
| 5 | 121 | 0.49 | 0.80 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 3343 Ų buried · 52 hydrogen bonds · protein-protein
Compared structures
- 7LUB · Crystal structure of recombinant human fumarase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P07954 · AlphaFold monomer V2.0 prediction for fumarate hydratase, mitochondrial (P07954) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P07954
- Elsewhere: RCSB PDB 7LUB · PDBe 7LUB · UniProt P07954
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.