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Crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme family protein from hoeflea phototrophica
Analyse Crystal structure of mandelate RACEMASE/MUCONATE lactonizing enzyme family… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3T8Q
- Type
- protein
- Length
- 736 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein
- UniProt
- A9D2J3
- Ligands
- MG
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 367 | 40% helix, 19% strand | A9D2J3 |
| B | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 369 | 40% helix, 20% strand | A9D2J3 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- MLI · Malonate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.76 | 0.85 | 72 | MLI |
| 2 | 224 | 0.58 | 0.80 | 34 | empty |
| 3 | 237 | 0.56 | 0.78 | 29 | empty |
| 4 | 116 | 0.39 | 0.74 | 24 | empty |
| 5 | 94 | 0.37 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1838 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 3T8Q · Crystal structure of mandelate racemase/muconate lactonizing enzyme family protein 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 A9D2J3
- Elsewhere: RCSB PDB 3T8Q · PDBe 3T8Q · UniProt A9D2J3
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