Research workbench
Crystal structure of the C115S enterobacter cloacae mura in the un-liganded state
Analyse Crystal structure of the C115S enterobacter cloacae mura in the un-liganded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1DLG
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Enterobacter cloacae
- Molecule
- Udp-N-acetylglucosamine enolpyruvyl transferase mura
- EC
- 2.5.1.7
- UniProt
- P33038
- Ligands
- HAI, PO4
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · resolution 1.9 · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-N-acetylglucosamine enolpyruvyl transferase mura (EC 2.5.1.7) | protein | 419 | 34% helix, 27% strand | P33038 |
Ligands and binding sites
- HAI · Cyclohexylammonium ion · ligand · 3 copies · chains A, B
- PO4 · Phosphate ion · ion · 9 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 | 781 | 0.71 | 0.77 | 67 | PO4 |
| 2 | 710 | 0.68 | 0.76 | 71 | PO4 |
| 3 | 242 | 0.67 | 0.84 | 36 | PO4, HAI |
| 4 | 95 | 0.39 | 0.76 | 17 | empty |
| 5 | 78 | 0.36 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 358 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 1DLG · Crystal structure of the C115S enterobacter cloacae mura in the un- liganded state · the same entry in another collection · chain A against A, TM-score 1.00
- P33038 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 1-carboxyvinyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P33038
- Elsewhere: RCSB PDB 1DLG · PDBe 1DLG · UniProt P33038
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