3TOI

Tailoring Enzyme Stability and Exploiting Stability-Trait Linkage by Iterative Truncation and Optimization

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Ampicillin resistance protein	polymer	254	27699.5	2	UniProt (Q79DR3) UniProt (by SIFTS) (P62593)	Escherichia coli	Beta-lactamase, Betalactamase TEM-116, Extended spectrum beta-lactamase, Mutant extended-spectrum beta-lactamase, TEM extended spectrum beta-lactamase
2	C, D (A, B)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, B: 41 - 287 (UniProt: Q79DR3)

PDB	External Database	Details
Asp 39	-	expression tag
Gly 40	-	expression tag
Val 56	Ile 54	engineered mutation
Gly 120	Arg 118	engineered mutation
Thr 182	Met 180	engineered mutation
Ser 195	Thr 193	engineered mutation
Met 208	Ile 206	engineered mutation
Val 224	Ala 222	engineered mutation
His 241	Arg 238	engineered mutation
Met 265	Thr 261	engineered mutation
Gly 288	-	expression tag
Gly 289	-	expression tag
His 290	-	expression tag
His 291	-	expression tag
His 292	-	expression tag
His 293	-	expression tag
His 294	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55398.9
All*	Total formula weight	55398.9

*Water molecules are not included.