4OJ8

Crystal structure of carbapenem synthase in complex with (3S,5S)-carbapenam

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	(5R)-carbapenem-3-carboxylate synthase	polymer	293	33821.2	3	UniProt (Q9XB59) Pfam (PF02668) In PDB	Pectobacterium carotovorum subsp. carotovorum	Carbapenem synthase
2	A, B, C	FE (II) ION	non-polymer		55.8	3	Chemie (FE2)
3	A, B, C	2-OXOGLUTARIC ACID	non-polymer		146.1	3	Chemie (AKG)
4	B	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	B, C	(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	non-polymer		155.2	2	Chemie (2TQ)
6		water	water		18.0	411	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 273 (UniProt: Q9XB59)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	101463.6
Non-Polymers*	Number of molecules	9
	Total formula weight	1008.2
All*	Total formula weight	102471.9

*Water molecules are not included.