MolNFT v1 · #173272 · protein
Structure of P. aeruginosa PBP3 in complex with vaborbactam
7AUH · Peptidoglycan D,D-transpeptidase ftsi: “Structure of P. aeruginosa PBP3 in complex with vaborbactam”. X-ray diffraction, 1 ligand (4D6), 2 pockets (best druggability 0.59). MolNFT v1 #173272 on GenesisL1: 3D structure, binding sites…
- PDB
- 7AUH
- Type
- protein
- Length
- 503 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptidoglycan D,D-transpeptidase ftsi
- EC
- 3.4.16.4
- UniProt
- G3XD46
- Ligands
- 4D6
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptidoglycan D,D-transpeptidase ftsi (EC 3.4.16.4) | protein | 503 | 34% helix, 24% strand | G3XD46 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.59 | 0.76 | 47 | empty |
| 2 | 270 | 0.56 | 0.77 | 31 | 4D6 |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7AUH · Structure of P. aeruginosa PBP3 in complex with vaborbactam · 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 0.99
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 7AUH · PDBe 7AUH · UniProt G3XD46
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