MolNFT v1 · #171934 · protein
Crystal structure of udp-glucuronic acid 4-epimerase from bacillus cereus in complex with udp-glucuronic acid and NAD
6ZLD · Epimerase domain-containing protein: “Crystal structure of udp-glucuronic acid 4-epimerase from bacillus cereus in complex with udp-glucuronic acid…”. X-ray diffraction, 2 ligands (NAD, UGA), 3 pockets (best druggability 0.87).…
- PDB
- 6ZLD
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epimerase domain-containing protein
- UniProt
- J8BY31
- Ligands
- NAD, UGA
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Epimerase domain-containing protein | protein | 314 | 41% helix, 18% strand | J8BY31 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- UGA · Uridine-5'-diphosphate-glucuronic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.87 | 0.94 | 69 | NAD, UGA |
| 2 | 471 | 0.86 | 0.93 | 71 | NAD, UGA |
| 3 | 226 | 0.46 | 0.74 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 118 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6ZLD · Crystal Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with… · 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 J8BY31
- Elsewhere: RCSB PDB 6ZLD · PDBe 6ZLD · UniProt J8BY31
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