Research workbench
Crystal structure of putative mandelate RACEMASE/MUCONATE lactonizing enzyme (PSI/COM target 200551) from sorangium cellulosum
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
- 3S5S
- Type
- protein
- Length
- 724 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein
- UniProt
- A9GEI3
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 366 | 41% helix, 26% strand | A9GEI3 |
| B | Mandelate RACEMASE/MUCONATE lactonizing enzyme family protein | protein | 358 | 41% helix, 23% strand | A9GEI3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.73 | 0.86 | 42 | SO4 |
| 2 | 428 | 0.64 | 0.78 | 46 | empty |
| 3 | 195 | 0.52 | 0.78 | 24 | empty |
| 4 | 153 | 0.46 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1205 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3S5S · Crystal structure of putative mandelate racemase/muconate lactonizing enzyme (PSI/COM… · 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 A9GEI3
- Elsewhere: RCSB PDB 3S5S · PDBe 3S5S · UniProt A9GEI3
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