4PEL

S1C mutant of Penicillin G acylase from Kluyvera citrophila

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Penicillin G acylase subunit alpha	polymer	222	24887.4	4	UniProt (P07941)	Kluyvera cryocrescens	Penicillin G amidase,Penicillin amidohydrolase
2	B, D, F, H (B, D, F, H)	Penicillin G acylase subunit beta	polymer	565	62973.0	4	UniProt (P07941) Pfam (PF01804) UniProt (by SIFTS) (A0A068F6N5)	Kluyvera cryocrescens	Penicillin G amidase,Penicillin amidohydrolase
3	I, J, K, L (A, C, E, G)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	M, N, O, P, Q... (A, B, C, D, F...)	water	water		18.0	34	Chemie (HOH)

Sequence modifications

A, C, E, G: -25 - 196 (UniProt: P07941)

PDB	External Database	Details
Leu 162	Val 188	conflict
Lys 168	Asn 194	conflict
Gln 169	Asp 195	conflict
Gln 170	Glu 196	conflict
Ala 196	Ser 222	conflict

B, D, F, H: 1 - 557 (UniProt: P07941)

PDB	External Database	Details
Cys 1	Ser 290	engineered mutation
His 123	Asp 412	conflict
Ala 132	Arg 421	conflict
Asp 144	Ala 433	conflict
Gly 211	-	insertion
Thr 212	Asp 500	conflict
Thr 270	Ile 558	conflict
Arg 291	Leu 579	conflict
Asn 295	-	insertion
Gln 419	Glu 706	conflict
Ile 526	Lys 813	conflict
Leu 558	-	expression tag
Glu 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag
His 565	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	351441.4
Non-Polymers*	Number of molecules	4
	Total formula weight	160.3
All*	Total formula weight	351601.7

*Water molecules are not included.