MolNFT v1 · #94506 · protein
Structure of putative glucarate dehydratase from acidaminococcus sp. D21 with unusual static disorder
4HYR: “Structure of putative glucarate dehydratase from acidaminococcus sp. D21 with unusual static disorder”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.80). MolNFT v1 #94506 on GenesisL1: 3D structure, binding sites…
- PDB
- 4HYR
- Type
- protein
- Length
- 873 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucarate dehydratase
- UniProt
- C0WBB5
- Ligands
- CL
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucarate dehydratase | protein | 442 | 39% helix, 18% strand | C0WBB5 |
| B | Glucarate dehydratase | protein | 431 | 41% helix, 19% strand | C0WBB5 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1170 | 0.80 | 0.82 | 112 | EDO, CL |
| 2 | 255 | 0.69 | 0.85 | 33 | empty |
| 3 | 72 | 0.42 | 0.80 | 21 | empty |
| 4 | 113 | 0.40 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1405 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 4HYR · Structure of putative Glucarate dehydratase from Acidaminococcus sp. D21 with unusual… · 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 C0WBB5
- Elsewhere: RCSB PDB 4HYR · PDBe 4HYR · UniProt C0WBB5
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