Research workbench
Crystal structure of E. COLI mur B bound to a naphthyl tetronic acid inihibitor
Analyse Crystal structure of E. COLI mur B bound to a naphthyl tetronic acid inihibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q85
- Type
- protein
- Length
- 341 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylenolpyruvoylglucosamine reductase
- EC
- 1.1.1.158
- UniProt
- P08373
- Ligands
- 973, FAD
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylenolpyruvoylglucosamine reductase (EC 1.1.1.158) | protein | 341 | 29% helix, 28% strand | P08373 |
Ligands and binding sites
- 973 · (5Z)-3-(4-chlorophenyl)-4-hydroxy-5-(1-naphthylmethylene)furan-2(5H)-one · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.81 | 0.82 | 104 | 973, FAD |
Compared structures
- 2Q85 · Crystal Structure of E. Coli Mur B bound to a Naphthyl Tetronic Acid inihibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P08373 · AlphaFold monomer V2.0 prediction for udp-N- acetylenolpyruvoylglucosamine reductase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P08373
- Elsewhere: RCSB PDB 2Q85 · PDBe 2Q85 · UniProt P08373
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