MolNFT v1 · #18241 · protein

An engineered staphylococcus aureus PC1 beta-lactamase that hydrolyses third generation cephalosporins

1PIO: “An engineered staphylococcus aureus PC1 beta-lactamase that hydrolyses third generation cephalosporins”. X-ray diffraction, 4 pockets (best druggability 0.84). MolNFT v1 #18241 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1PIO
Type: protein
Length: 512 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: P00807
Pockets: 4 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase (EC 3.5.2.6)	protein	256	45% helix, 19% strand	P00807

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	266	0.84	0.96	58	empty
2	52	0.72	0.99	19	empty
3	168	0.49	0.77	24	empty
4	143	0.48	0.78	24	empty

Interfaces

1 interface between chains.

A–B · 1524 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

1PIO · An engineered staphylococcus aureus PC1 beta-lactamase that hydrolyses third generation… · the same entry in another collection · chain A against A, TM-score 1.00
P00807 · AlphaFold monomer V2.0 prediction for beta-lactamase (P00807) · a predicted model of the same protein · chain B 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 P00807
Elsewhere: RCSB PDB 1PIO · PDBe 1PIO · UniProt P00807

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