MolNFT v1 · #117482 · protein
Structural insights of isocitrate lyases from fusarium graminearum
5E9H: “Structural insights of isocitrate lyases from fusarium graminearum”. X-ray diffraction, 1 ligand (MN), 7 pockets (best druggability 0.64). MolNFT v1 #117482 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5E9H
- Type
- protein
- Length
- 1,046 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isocitrate lyase
- EC
- 4.1.3.1, 4.1.3.30
- UniProt
- Q4HYR2
- Ligands
- MN
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isocitrate lyase (EC 4.1.3.1, 4.1.3.30) | protein | 518 | 52% helix, 10% strand | Q4HYR2 |
| B | Isocitrate lyase (EC 4.1.3.1, 4.1.3.30) | protein | 528 | 52% helix, 9% strand | Q4HYR2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 207 | 0.64 | 0.84 | 24 | empty |
| 2 | 301 | 0.60 | 0.78 | 42 | empty |
| 3 | 107 | 0.55 | 0.84 | 19 | empty |
| 4 | 117 | 0.53 | 0.82 | 24 | empty |
| 5 | 168 | 0.45 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 4682 Ų buried · 53 hydrogen bonds · protein-protein
Compared structures
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 Q4HYR2
- Elsewhere: RCSB PDB 5E9H · PDBe 5E9H · UniProt Q4HYR2
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