MolNFT v1 · #184515 · protein
Crystal structure of udp-N-acetylenolpyruvoylglucosamine reductase (murb) from pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
7OSQ: “Crystal structure of udp-N-acetylenolpyruvoylglucosamine reductase (murb) from pseudomonas aeruginosa in…”. X-ray diffraction, 2 ligands (FAD, 0JI), 2 pockets (best druggability 0.81). MolNFT v1 #184515 on GenesisL1: 3D structure…
- PDB
- 7OSQ
- Type
- protein
- Length
- 337 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylenolpyruvoylglucosamine reductase
- EC
- 1.3.1.98
- UniProt
- Q9HZM7
- Ligands
- FAD, 0JI
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylenolpyruvoylglucosamine reductase (EC 1.3.1.98) | protein | 337 | 31% helix, 28% strand | Q9HZM7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 0JI · 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 914 | 0.81 | 0.83 | 85 | FAD, 0JI |
| 2 | 96 | 0.35 | 0.74 | 23 | empty |
Compared structures
- 7OSQ · Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HZM7 · AlphaFold monomer V2.0 prediction for udp-N- acetylenolpyruvoylglucosamine reductase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9HZM7
- Elsewhere: RCSB PDB 7OSQ · PDBe 7OSQ · UniProt Q9HZM7
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