7O5Q

Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Oxacillin

This is a non-PDB format compatible entry.

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, D (AAA, BBB, CCC, DDD)	Beta-lactamase	polymer	260	30254.1	4	UniProt (Q6XEC0) Pfam (PF00905)	Klebsiella pneumoniae
2	E, J, R (AAA, BBB, CCC)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
3	AA, BA, F, G, H... (DDD, AAA, BBB, CCC)	IODIDE ION	non-polymer		126.9	15	Chemie (IOD)
4	K, Y (BBB, DDD)	1-BUTANOL	non-polymer		74.1	2	Chemie (1BO)
5	Q, X (CCC, DDD)	(2R,4S)-2-[(R)-carboxy{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbo xylic acid	non-polymer		419.5	2	Chemie (0WO)
6	S, Z (CCC, DDD)	(2R,4S)-2-[(1R)-2-butoxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidin-3-ium-4-carboxylic acid	non-polymer		476.6	2	Chemie (V3H)
7	CA, DA, EA, FA (AAA, BBB, CCC, DDD)	water	water		18.0	703	Chemie (HOH)

Sequence modifications

AAA, BBB, CCC, DDD: 23 - 265 (UniProt: Q6XEC0)

PDB	External Database	Details
Met 6	-	initiating methionine
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
Ser 13	-	expression tag
Ala 14	-	expression tag
Gly 15	-	expression tag
Glu 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Phe 20	-	expression tag
Gln 21	-	expression tag
Gly 22	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	121016.5
Non-Polymers*	Number of molecules	24
	Total formula weight	4120.1
All*	Total formula weight	125136.7

*Water molecules are not included.