MolNFT v1 · #78278 · protein
Crystal structure of enolase superfamily member from clostridium beijerincki complexed with mg
3S47 · Mandelate RACEMASE/MUCONATE lactonizing protein: “Crystal structure of enolase superfamily member from clostridium beijerincki complexed with mg”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 3S47
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing protein
- UniProt
- A6M2W4
- Ligands
- MG
- Pockets
- 7 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mandelate RACEMASE/MUCONATE lactonizing protein | protein | 386 | 40% helix, 18% strand | A6M2W4 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 380 | 0.65 | 0.79 | 39 | empty |
| 2 | 350 | 0.65 | 0.79 | 35 | empty |
| 3 | 319 | 0.57 | 0.76 | 37 | empty |
| 4 | 56 | 0.56 | 0.89 | 19 | empty |
| 5 | 62 | 0.56 | 0.88 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2517 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 3S47 · Crystal structure of enolase superfamily member from Clostridium beijerincki complexed… · the same entry in another collection · chain A against A, TM-score 1.00
- A6M2W4 · AlphaFold monomer V2.0 prediction for D-galactonate dehydratase family member CBEI_4837… · a predicted model of the same protein · 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 A6M2W4
- Elsewhere: RCSB PDB 3S47 · PDBe 3S47 · UniProt A6M2W4
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