12AJ

Citrobacter rodentium contact dependent growth inhibition (CDI) toxin (CdiA-CT) in complex with E. coli GyrB

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (B)	DNA gyrase subunit B	polymer	230	25390.5	1	UniProt (A0A7D7JXT0)	Escherichia coli
2	B (A)	Contact-dependent inhibitor A	polymer	164	17945.8	1	UniProt (A0A482PFX0)	Citrobacter rodentium
3	C, D, E, F, G... (B, A)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL) PubChem (753)
4	J, K (B, A)	water	water		18.0	131	Chemie (HOH)

Sequence modifications

B: 2 - 221 (UniProt: A0A7D7JXT0)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 1	-	expression tag
Leu 222	-	expression tag
Glu 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag

A: 159 - 301 (UniProt: A0A482PFX0)

PDB	External Database	Details
Met 138	-	initiating methionine
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
Ser 145	-	expression tag
Ser 146	-	expression tag
Gly 147	-	expression tag
Val 148	-	expression tag
Asp 149	-	expression tag
Leu 150	-	expression tag
Gly 151	-	expression tag
Thr 152	-	expression tag
Glu 153	-	expression tag
Asn 154	-	expression tag
Leu 155	-	expression tag
Tyr 156	-	expression tag
Phe 157	-	expression tag
Gln 158	-	expression tag
Ala 183	Cys 3720	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43336.3
Non-Polymers*	Number of molecules	7
	Total formula weight	644.7
All*	Total formula weight	43981.0

*Water molecules are not included.