MolNFT v1 · #72970 · protein
Crystal structure of apo fumarate hydratase from mycobacterium tuberculosis
3NO9 · Fumarate hydratase class II: “Crystal structure of apo fumarate hydratase from mycobacterium tuberculosis”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #72970 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3NO9
- Type
- protein
- Length
- 1,810 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
- O53446
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fumarate hydratase class II (EC 4.2.1.2) | protein | 453 | 60% helix, 7% strand | O53446 |
| B, D | Fumarate hydratase class II (EC 4.2.1.2) | protein | 452 | 58% helix, 8% strand | O53446 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.83 | 0.98 | 24 | empty |
| 2 | 140 | 0.79 | 0.96 | 32 | empty |
| 3 | 135 | 0.79 | 0.96 | 32 | empty |
| 4 | 68 | 0.72 | 0.97 | 17 | empty |
| 5 | 69 | 0.71 | 0.96 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–C · 2854 Ų buried · 38 hydrogen bonds · protein-protein
- B–D · 2847 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2198 Ų buried · 27 hydrogen bonds · protein-protein
- C–D · 2195 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 1514 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3NO9 · Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis · 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 O53446
- Elsewhere: RCSB PDB 3NO9 · PDBe 3NO9 · UniProt O53446
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