MolNFT v1 · #174625 · protein
Crystal structure of fumarasec from mannheimia succiniciproducens
7C1C · Fumarate hydratase class II: “Crystal structure of fumarasec from mannheimia succiniciproducens”. X-ray diffraction, 20 pockets (best druggability 0.68). MolNFT v1 #174625 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7C1C
- Type
- protein
- Length
- 1,852 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fumarate hydratase class II
- EC
- 4.2.1.2
- UniProt
- Q65UJ3
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 61% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fumarate hydratase class II (EC 4.2.1.2) | protein | 463 | 61% helix, 8% strand | Q65UJ3 |
| B | Fumarate hydratase class II (EC 4.2.1.2) | protein | 465 | 61% helix, 8% strand | Q65UJ3 |
| D | Fumarate hydratase class II (EC 4.2.1.2) | protein | 461 | 61% helix, 8% strand | Q65UJ3 |
Ligands and binding sites
- GOL · Glycerol · additive · 19 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.68 | 0.78 | 41 | GOL |
| 2 | 509 | 0.68 | 0.79 | 39 | empty |
| 3 | 54 | 0.68 | 0.97 | 17 | empty |
| 4 | 55 | 0.66 | 0.95 | 19 | empty |
| 5 | 162 | 0.64 | 0.85 | 31 | GOL |
Interfaces
6 interfaces between chains.
- B–C · 3854 Ų buried · 47 hydrogen bonds · protein-protein
- A–D · 3642 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 2805 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 2804 Ų buried · 31 hydrogen bonds · protein-protein
- B–D · 2245 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 7C1C · Crystal structure of FumaraseC from Mannheimia succiniciproducens · the same entry in another collection · chain A 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 Q65UJ3
- Elsewhere: RCSB PDB 7C1C · PDBe 7C1C · UniProt Q65UJ3
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