Research workbench
Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043
Analyse Crystal structure of probable glucarate dehydratase from chromohalobacter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MZN
- Type
- protein
- Length
- 892 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucarate dehydratase
- EC
- 4.2.1.40
- UniProt
- Q1QUN0
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucarate dehydratase (EC 4.2.1.40) | protein | 446 | 41% helix, 18% strand | Q1QUN0 |
| B | Glucarate dehydratase (EC 4.2.1.40) | protein | 446 | 40% helix, 18% strand | Q1QUN0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.75 | 0.95 | 29 | empty |
| 2 | 144 | 0.71 | 0.91 | 26 | empty |
| 3 | 137 | 0.71 | 0.91 | 21 | empty |
| 4 | 231 | 0.65 | 0.83 | 45 | empty |
| 5 | 278 | 0.59 | 0.78 | 27 | ACT |
Interfaces
1 interface between chains.
- A–B · 1361 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 3MZN · Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm… · 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 Q1QUN0
- Elsewhere: RCSB PDB 3MZN · PDBe 3MZN · UniProt Q1QUN0
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