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Crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme from polaromonas sp. JS666
Analyse Crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OG9
- Type
- protein
- Length
- 726 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme
- EC
- 5.1.2.2
- UniProt
- Q12GE3
- Ligands
- CA
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mandelate RACEMASE/MUCONATE lactonizing enzyme (EC 5.1.2.2) | protein | 363 | 41% helix, 21% strand | Q12GE3 |
Ligands and binding sites
- CA · Calcium ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 563 | 0.70 | 0.79 | 57 | empty |
| 2 | 448 | 0.69 | 0.80 | 40 | empty |
| 3 | 409 | 0.68 | 0.80 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 1342 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2OG9 · Crystal Structure of mandelate racemase/muconate lactonizing enzyme from Polaromonas sp.… · 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 Q12GE3
- Elsewhere: RCSB PDB 2OG9 · PDBe 2OG9 · UniProt Q12GE3
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