MolNFT v1 · #74547 · protein
Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg and M-xylarate
3OZY · Putative mandelate racemase: “Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg and…”. X-ray diffraction, 2 ligands (DXL, MG), 8 pockets (best druggability 0.77). MolNFT v1 #74547 on…
- PDB
- 3OZY
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative mandelate racemase
- UniProt
- Q7WEE8
- Ligands
- DXL, MG
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative mandelate racemase | protein | 386 | 40% helix, 19% strand | Q7WEE8 |
Ligands and binding sites
- DXL · D-xylaric acid · ligand · chains B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- ACY · Acetic acid · additive · 6 copies · chains A, B
- GOL · Glycerol · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.77 | 0.98 | 28 | DXL |
| 2 | 92 | 0.76 | 0.98 | 30 | ACY |
| 3 | 87 | 0.54 | 0.85 | 17 | GOL |
| 4 | 82 | 0.51 | 0.84 | 18 | GOL |
| 5 | 106 | 0.41 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1990 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 3OZY · Crystal structure of enolase superfamily member from Bordetella bronchiseptica complexed… · 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 Q7WEE8
- Elsewhere: RCSB PDB 3OZY · PDBe 3OZY · UniProt Q7WEE8
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