9SGA

PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH A MONOBACTAM (21)

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 (A)	Penicillin-binding protein 1B	polymer	494	54085.9	1	UniProt (O70038)	Streptococcus pneumoniae
2	B (A)	[(2~{S},3~{S})-4-oxidanylidene-3-(2-phenylethanoylamino)butan-2-yl]sulfamic acid	non-polymer		300.3	1	Chemie (A1JNU)
3	AA, BA, C, D, E... (A)	CHLORIDE ION	non-polymer		35.5	26	Chemie (CL)
4	CA (A)	2-AMINOETHANESULFONIC ACID	non-polymer		125.1	1	Chemie (TAU)
5	DA (A)	water	water		18.0	406	Chemie (HOH)

Sequence modifications

A: 323 - 791 (UniProt: O70038)

PDB	External Database	Details
Asp 101	-	expression tag
Ile 102	-	expression tag
Ser 103	-	expression tag
Ser 104	-	expression tag
Ile 105	-	expression tag
Ser 106	-	expression tag
Glu 107	-	expression tag
Ile 108	-	expression tag
Thr 109	-	expression tag
Tyr 110	-	expression tag
Ser 111	-	expression tag
Asp 112	-	expression tag
Gly 113	-	expression tag
Thr 114	-	expression tag
Val 115	-	expression tag
Ile 116	-	expression tag
Ala 117	-	expression tag
Ser 118	-	expression tag
Ile 119	-	expression tag
Glu 317	-	expression tag
Ser 318	-	expression tag
Asp 319	-	expression tag
Met 320	-	expression tag
Leu 321	-	expression tag
Arg 322	-	expression tag
Gln 336	Arg 336	conflict
Gly 656	Asn 656	engineered mutation
Gln 686	Arg 686	engineered mutation
Gln 687	Arg 687	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54085.9
Non-Polymers*	Number of molecules	28
	Total formula weight	1347.3
All*	Total formula weight	55433.1

*Water molecules are not included.