MolNFT v1 · #181543 · protein

Crystal structure of pseudomonas aeruginosa PBP3 in complex with vaborbactam

7LY1 · Peptidoglycan D,D-transpeptidase ftsi: “Crystal structure of pseudomonas aeruginosa PBP3 in complex with vaborbactam”. X-ray diffraction, 1 ligand (4D6), 3 pockets (best druggability 0.56). MolNFT v1 #181543 on GenesisL1: 3D…

PDB: 7LY1
Type: protein
Length: 473 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: Q51504
Ligands: 4D6
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Peptidoglycan D,D-transpeptidase ftsi (EC 3.4.16.4)	protein	473	36% helix, 22% strand	Q51504

Ligands and binding sites

4D6 · Vaborbactam · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.56	0.77	34	4D6
2	170	0.49	0.78	31	empty
3	58	0.48	0.85	18	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

7LY1 · Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam · 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 Q51504
Elsewhere: RCSB PDB 7LY1 · PDBe 7LY1 · UniProt Q51504

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