6TIX

Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam

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	AAA, BBB	Peptidoglycan D,D-transpeptidase MrdA	polymer	583	65552.9	2	UniProt (A0A384KFW3) Pfam (PF03717) Pfam (PF00905) UniProt (by SIFTS) (A0A0H2W2Y2) In PDB	Yersinia pestis	Penicillin-binding protein 2,PBP-2
2	AAA, BBB	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid	non-polymer		327.4	2	Chemie (DH4)
3		water	water		18.0	104	Chemie (HOH)

Sequence modifications

AAA, BBB: 49 - 613 (UniProt: A0A384KFW3)

PDB	External Database	Details
His 31	-	expression tag
His 32	-	expression tag
His 33	-	expression tag
His 34	-	expression tag
His 35	-	expression tag
His 36	-	expression tag
Ser 37	-	expression tag
Ser 38	-	expression tag
Gly 39	-	expression tag
Glu 40	-	expression tag
Asn 41	-	expression tag
Leu 42	-	expression tag
Tyr 43	-	expression tag
Phe 44	-	expression tag
Gln 45	-	expression tag
Gly 46	-	expression tag
His 47	-	expression tag
Met 48	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	131105.8
Non-Polymers*	Number of molecules	2
	Total formula weight	654.9
All*	Total formula weight	131760.6

*Water molecules are not included.