Research workbench
2.4 ångström crystal structure of fumarate hydratase from rickettsia prowazekii
Analyse 2.4 ångström crystal structure of fumarate hydratase from rickettsia prowazekii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GTD
- Type
- protein
- Length
- 855 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate hydratase class II
- EC
- 4.2.1.2
- UniProt
- Q9ZCQ4
- Ligands
- NA
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase class II (EC 4.2.1.2) | protein | 455 | 61% helix, 8% strand | Q9ZCQ4 |
| B | Fumarate hydratase class II (EC 4.2.1.2) | protein | 400 | 59% helix, 9% strand | Q9ZCQ4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.73 | 0.79 | 72 | MLI |
| 2 | 420 | 0.68 | 0.80 | 38 | empty |
| 3 | 413 | 0.66 | 0.79 | 47 | MLI |
| 4 | 61 | 0.47 | 0.84 | 16 | empty |
| 5 | 79 | 0.45 | 0.81 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 2625 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3GTD · 2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ZCQ4 · AlphaFold monomer V2.0 prediction for fumarate hydratase class II (Q9ZCQ4) · 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 Q9ZCQ4
- Elsewhere: RCSB PDB 3GTD · PDBe 3GTD · UniProt Q9ZCQ4
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