MolNFT v1 · #5482 · protein
Crystal structure of unliganded mura (TYPE1)
1EJD · Udp-N-acetylglucosamine enolpyruvyltransferase: “Crystal structure of unliganded mura (TYPE1)”. X-ray diffraction, 2 ligands (HAI, PO4), 6 pockets (best druggability 0.70). MolNFT v1 #5482 on GenesisL1: 3D structure, binding sites…
- PDB
- 1EJD
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine enolpyruvyltransferase
- EC
- 2.5.1.7
- UniProt
- P33038
- Ligands
- HAI, PO4
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-N-acetylglucosamine enolpyruvyltransferase (EC 2.5.1.7) | protein | 419 | 34% helix, 27% strand | P33038 |
Ligands and binding sites
- HAI · Cyclohexylammonium ion · ligand · 5 copies · chains A, B
- PO4 · Phosphate ion · ion · 15 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 784 | 0.70 | 0.76 | 76 | PO4 |
| 2 | 255 | 0.66 | 0.83 | 37 | PO4, HAI |
| 3 | 548 | 0.65 | 0.76 | 54 | PO4 |
| 4 | 190 | 0.52 | 0.77 | 27 | empty |
| 5 | 104 | 0.42 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 338 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
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 1EJD · PDBe 1EJD · UniProt P33038
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