Research workbench
Crystal structure of human cis-aconitate decarboxylase
Analyse Crystal structure of human cis-aconitate decarboxylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R6U
- Type
- protein
- Length
- 915 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cis-aconitate decarboxylase
- EC
- 4.1.1.6
- UniProt
- A6NK06
- Ligands
- NA
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cis-aconitate decarboxylase (EC 4.1.1.6) | protein | 458 | 54% helix, 8% strand | A6NK06 |
| B | Cis-aconitate decarboxylase (EC 4.1.1.6) | protein | 457 | 54% helix, 8% strand | A6NK06 |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A, B
- BU3 · (R,R)-2,3-butanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.70 | 0.81 | 67 | BU3, NA |
| 2 | 173 | 0.44 | 0.74 | 29 | BU3 |
| 3 | 107 | 0.40 | 0.75 | 24 | empty |
| 4 | 60 | 0.38 | 0.79 | 14 | empty |
| 5 | 84 | 0.37 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2064 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
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 A6NK06
- Elsewhere: RCSB PDB 6R6U · PDBe 6R6U · UniProt A6NK06
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