Research workbench
The crystal structure of SMU.943C from streptococcus mutans UA159
Analyse The crystal structure of SMU.943C from streptococcus mutans UA159 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LEH
- Type
- protein
- Length
- 356 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hydroxymethylglutaryl-CoA synthase
- EC
- 2.3.3.10
- UniProt
- Q8DUI5
- Ligands
- NO3
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative hydroxymethylglutaryl-CoA synthase (EC 2.3.3.10) | protein | 356 | 38% helix, 27% strand | Q8DUI5 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.51 | 0.81 | 16 | empty |
| 2 | 182 | 0.47 | 0.75 | 25 | empty |
| 3 | 54 | 0.41 | 0.82 | 18 | empty |
| 4 | 98 | 0.38 | 0.75 | 16 | empty |
Compared structures
- 3LEH · The Crystal Structure of smu.943c from Streptococcus mutans UA159 · 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 Q8DUI5
- Elsewhere: RCSB PDB 3LEH · PDBe 3LEH · UniProt Q8DUI5
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