Research workbench
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
Analyse Co-Crystal structure of P. aeruginosa LpxC-achn975 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6MOO
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Pseudomonas aeruginosa
- Molecule
- UDP-3-O-acyl-N-acetylglucosamine deacetylase
- EC
- 3.5.1.108
- UniProt
- A0A072ZC86
- Ligands
- A5F, ZN
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 24% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UDP-3-O-acyl-N-acetylglucosamine deacetylase (EC 3.5.1.108) | protein | 301 | 24% helix, 33% strand | A0A072ZC86 |
Ligands and binding sites
- A5F · N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 401 | 0.67 | 0.80 | 40 | A5F |
| 2 | 156 | 0.64 | 0.86 | 25 | empty |
| 3 | 55 | 0.38 | 0.80 | 19 | empty |
Compared structures
- 6MOO · Co-crystal structure of P. aeruginosa lpxc-ACHN975 complex · 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 A0A072ZC86
- Elsewhere: RCSB PDB 6MOO · PDBe 6MOO · UniProt A0A072ZC86
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