1GK0

Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	CEPHALOSPORIN ACYLASE	polymer	153	16988.5	2	UniProt (O86089) UniProt (by SIFTS) (P07662)	PSEUDOMONAS SP.	GLUTARYLAMIDASE
2	B, D (B, D)	CEPHALOSPORIN ACYLASE	polymer	522	58855.8	2	UniProt (O86089) Pfam (PF01804) UniProt (by SIFTS) (P07662)	PSEUDOMONAS SP.	GLUTARYLAMIDASE
3	E, G (B, D)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	F, H (B, D)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	I, J, K, L (A, B, C, D)	water	water		18.0	704	Chemie (HOH)

Sequence modifications

A, C: 8 - 160 (UniProt: O86089)

PDB	External Database	Details
Glu 126	Asp 154	conflict
Mse 146	Met 174	modified residue

B, D: 1 - 522 (UniProt: O86089)

PDB	External Database	Details
Mse 64	Met 262	modified residue
Mse 73	Met 271	modified residue
Mse 149	Met 347	modified residue
Mse 156	Met 354	modified residue
Mse 172	Met 370	modified residue
Mse 282	Met 480	modified residue
Mse 294	Met 492	modified residue
Mse 304	Met 502	modified residue
Mse 416	Met 614	modified residue
Mse 460	Met 658	modified residue
Mse 473	Met 671	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	151688.6
Non-Polymers*	Number of molecules	4
	Total formula weight	314.1
All*	Total formula weight	152002.7

*Water molecules are not included.