Research workbench
Crystal structure of E. coli fumarase C N326A variant with closed SS Loop at 1.40 angstrom resolution
Analyse Crystal structure of E. coli fumarase C N326A variant with closed SS Loop at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NZC
- Type
- protein
- Length
- 920 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.403
- Source
- Escherichia coli (strain K12)
- Molecule
- Fumarate hydratase class II
- EC
- 4.2.1.2
- UniProt
- P05042
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · resolution 1.403 · 2 distinct chains · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fumarate hydratase class II (EC 4.2.1.2) | protein | 461 | 62% helix, 8% strand | P05042 |
| B | Fumarate hydratase class II (EC 4.2.1.2) | protein | 459 | 61% helix, 8% strand | P05042 |
Ligands and binding sites
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.70 | 0.98 | 14 | empty |
| 2 | 194 | 0.43 | 0.73 | 33 | empty |
| 3 | 185 | 0.42 | 0.73 | 30 | empty |
| 4 | 87 | 0.37 | 0.76 | 17 | empty |
| 5 | 83 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2899 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 6NZC · Crystal structure of E. COLI fumarase C N326A variant with closed ss loop at 1.40… · the same entry in another collection · chain A against A, TM-score 1.00
- P05042 · AlphaFold monomer V2.0 prediction for fumarate hydratase class II (P05042) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 6NZC · PDBe 6NZC · UniProt P05042
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