Research workbench
Glucarate dehydratase, N341L mutant orthorhombic form
Analyse Glucarate dehydratase, N341L mutant orthorhombic form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JCT
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucarate dehydratase
- EC
- 4.2.1.40
- UniProt
- P76637
- Ligands
- GKR, MG
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucarate dehydratase (EC 4.2.1.40) | protein | 443 | 38% helix, 19% strand | P76637 |
| B | Glucarate dehydratase (EC 4.2.1.40) | protein | 442 | 37% helix, 17% strand | P76637 |
Ligands and binding sites
- GKR · D-glucarate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 2 copies · chains A, B
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 | 256 | 0.72 | 0.87 | 48 | GKR |
| 2 | 242 | 0.68 | 0.84 | 34 | empty |
| 3 | 366 | 0.61 | 0.78 | 52 | empty |
| 4 | 270 | 0.60 | 0.80 | 34 | empty |
| 5 | 125 | 0.39 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 661 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1JCT · Glucarate Dehydratase, N341L mutant Orthorhombic Form · 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 P76637
- Elsewhere: RCSB PDB 1JCT · PDBe 1JCT · UniProt P76637
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