MolNFT v1 · #158609 · protein
Crystal structure of E. COLI fumarase C K324A variant with closed ss loop at 1.41 ångström resolution
6NZA · Fumarate hydratase class II: “Crystal structure of E. COLI fumarase C K324A variant with closed ss loop at 1.41 ångström resolution”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #158609 on GenesisL1: 3D…
- PDB
- 6NZA
- Type
- protein
- Length
- 920 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
- P05042
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 62% 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 | 62% 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
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.70 | 0.98 | 14 | empty |
| 2 | 198 | 0.43 | 0.73 | 28 | empty |
| 3 | 199 | 0.43 | 0.73 | 26 | empty |
| 4 | 75 | 0.35 | 0.75 | 16 | empty |
| 5 | 58 | 0.31 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2884 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6NZA · Crystal structure of E. coli fumarase C K324A variant with closed SS Loop at 1.41… · 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 0.97
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 6NZA · PDBe 6NZA · UniProt P05042
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