Research workbench
Crystal structure of putative mandelate RACEMASE/MUCONATE lactonizing enzyme from aspergillus oryzae
Analyse Crystal structure of putative mandelate RACEMASE/MUCONATE lactonizing enzyme… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PS2
- Type
- protein
- Length
- 1,444 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative mandelate RACEMASE/MUCONATE lactonizing enzyme
- UniProt
- Q2U1E8
- Ligands
- MG
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative mandelate RACEMASE/MUCONATE lactonizing enzyme | protein | 361 | 38% helix, 22% strand | Q2U1E8 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1192 | 0.81 | 0.82 | 90 | empty |
| 2 | 181 | 0.75 | 0.91 | 38 | empty |
| 3 | 275 | 0.74 | 0.87 | 47 | empty |
| 4 | 288 | 0.70 | 0.84 | 46 | empty |
| 5 | 298 | 0.68 | 0.83 | 41 | empty |
Interfaces
3 interfaces between chains.
- B–D · 955 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 936 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 925 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2PS2 · Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from… · 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 Q2U1E8
- Elsewhere: RCSB PDB 2PS2 · PDBe 2PS2 · UniProt Q2U1E8
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