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Crystal structure of fumarasec from mannheimia succiniciproducens in complex with fumarate
Analyse Crystal structure of fumarasec from mannheimia succiniciproducens in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7C18
- Type
- protein
- Length
- 1,848 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
- Ligands
- FUM
- Pockets
- 18 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 61% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 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 | 464 | 62% helix, 8% strand | Q65UJ3 |
| C | Fumarate hydratase class II (EC 4.2.1.2) | protein | 461 | 61% helix, 7% strand | Q65UJ3 |
| D | Fumarate hydratase class II (EC 4.2.1.2) | protein | 460 | 62% helix, 8% strand | Q65UJ3 |
Ligands and binding sites
- FUM · Fumaric acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 564 | 0.71 | 0.79 | 49 | empty |
| 2 | 341 | 0.71 | 0.83 | 65 | empty |
| 3 | 560 | 0.70 | 0.79 | 40 | empty |
| 4 | 57 | 0.69 | 0.97 | 17 | empty |
| 5 | 59 | 0.68 | 0.96 | 16 | empty |
Interfaces
6 interfaces between chains.
- B–C · 3790 Ų buried · 48 hydrogen bonds · protein-protein
- A–D · 3675 Ų buried · 39 hydrogen bonds · protein-protein
- C–D · 2832 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2824 Ų buried · 25 hydrogen bonds · protein-protein
- B–D · 2208 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 7C18 · Crystal structure of FumaraseC from Mannheimia succiniciproducens in complex with Fumarate · 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 7C18 · PDBe 7C18 · UniProt Q65UJ3
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