MolNFT v1 · #79658 · protein
Crystal structure of a putative mandelate RACEMASE/MUCONATE lactonizing enzyme family protein from roseovarius
3T9P: “Crystal structure of a putative mandelate RACEMASE/MUCONATE lactonizing enzyme family protein from roseovarius”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.71). MolNFT v1 #79658 on GenesisL1: 3D structure…
- PDB
- 3T9P
- Type
- protein
- Length
- 733 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein
- UniProt
- A6E1Q0
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 368 | 40% helix, 19% strand | A6E1Q0 |
| B | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 365 | 41% helix, 19% strand | A6E1Q0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- FMT · Formic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · chains 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 | 490 | 0.71 | 0.81 | 75 | empty |
| 2 | 289 | 0.59 | 0.78 | 38 | FMT |
| 3 | 263 | 0.57 | 0.78 | 34 | FMT |
| 4 | 146 | 0.43 | 0.75 | 23 | empty |
| 5 | 131 | 0.43 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1855 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 3T9P · Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme family… · 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 A6E1Q0
- Elsewhere: RCSB PDB 3T9P · PDBe 3T9P · UniProt A6E1Q0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.