Research workbench
S642A:ISOCITRATE complex of aconitase
Analyse S642A:ISOCITRATE complex of aconitase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1C97
- Type
- protein
- Length
- 753 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitochondrial aconitase
- EC
- 4.2.1.3
- UniProt
- P20004
- Ligands
- SF4, ICT, O
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitochondrial aconitase (EC 4.2.1.3) | protein | 753 | 35% helix, 21% strand | P20004 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- ICT · Isocitric acid · ligand · chains A
- O · Oxygen atom · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.76 | 0.98 | 26 | SF4, O, ICT |
| 2 | 63 | 0.73 | 0.99 | 24 | empty |
| 3 | 321 | 0.67 | 0.81 | 57 | empty |
| 4 | 235 | 0.55 | 0.78 | 33 | empty |
| 5 | 91 | 0.44 | 0.80 | 27 | empty |
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 P20004
- Elsewhere: RCSB PDB 1C97 · PDBe 1C97 · UniProt P20004
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.