MolNFT v1 · #7033 · protein
Fumarase with bound pyromellitic acid
1FUP · Fumarase C: “Fumarase with bound pyromellitic acid”. X-ray diffraction, 2 ligands (MLT, PMA), 4 pockets (best druggability 0.58). MolNFT v1 #7033 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1FUP
- Type
- protein
- Length
- 910 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarase C
- EC
- 4.2.1.2
- UniProt
- P05042
- Ligands
- MLT, PMA
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarase C (EC 4.2.1.2) | protein | 455 | 62% helix, 7% strand | P05042 |
| B | Fumarase C (EC 4.2.1.2) | protein | 455 | 62% helix, 8% strand | P05042 |
Ligands and binding sites
- MLT · D-malate · ligand · 2 copies · chains A, B
- PMA · Pyromellitic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.58 | 0.77 | 41 | empty |
| 2 | 215 | 0.51 | 0.77 | 35 | empty |
| 3 | 152 | 0.45 | 0.77 | 21 | empty |
| 4 | 50 | 0.26 | 0.73 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 2028 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
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 P05042
- Elsewhere: RCSB PDB 1FUP · PDBe 1FUP · UniProt P05042
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