9SSI

PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with Cefditoren - Streptococcus pneumoniae R6

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 R6
2	B (A)	(2R)-2-[(1R)-1-{[(2Z)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ACETYL]AMINO}-2-OXOETHYL]-5-[(Z)-2-(4-METHYL-1,3-THIAZOL-5-YL)VINYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID	non-polymer		508.6	1	Chemie (CDS)
3	AA, BA, C, CA, D... (A)	CHLORIDE ION	non-polymer		35.5	27	Chemie (CL)
4	DA (A)	water	water		18.0	570	Chemie (HOH)

Sequence modifications

A: 323 - 791 (UniProt: O70038)

PDB	External Database	Details
Asp 298	-	expression tag
Ile 299	-	expression tag
Ser 300	-	expression tag
Ser 301	-	expression tag
Ile 302	-	expression tag
Ser 303	-	expression tag
Glu 304	-	expression tag
Ile 305	-	expression tag
Thr 306	-	expression tag
Tyr 307	-	expression tag
Ser 308	-	expression tag
Asp 309	-	expression tag
Gly 310	-	expression tag
Thr 311	-	expression tag
Val 312	-	expression tag
Ile 313	-	expression tag
Ala 314	-	expression tag
Ser 315	-	expression tag
Ile 316	-	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	engineered mutation
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	1465.8
All*	Total formula weight	55551.7

*Water molecules are not included.