MolNFT v1 · #173256 · protein
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 12)
7AU1: “Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 12)”. X-ray diffraction, 1 ligand (S08). MolNFT v1 #173256 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AU1
- Type
- protein
- Length
- 497 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- G3XD46
- Ligands
- S08
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 497 | — | G3XD46 |
Ligands and binding sites
- S08 · 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7AU1 · Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12) · the same entry in another collection · chain A against A, TM-score 1.00
- G3XD46 · AlphaFold monomer V2.0 prediction for peptidoglycan D,D-transpeptidase ftsi (G3XD46) · 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 G3XD46
- Elsewhere: RCSB PDB 7AU1 · PDBe 7AU1 · UniProt G3XD46
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