1TIL

Crystal Structures of the ADP and ATP bound forms of the Bacillus Anti-sigma factor SpoIIAB in complex with the Anti-anti-sigma SpoIIAA:Poised for phosphorylation complex with ATP, crystal form II

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E (A, C, E)	Anti-sigma F factor	polymer	146	16210.3	3	UniProt (O32727) Pfam (PF02518)	Geobacillus stearothermophilus	Stage II sporulation protein AB
2	B, D, F (B, D, F)	Anti-sigma F factor antagonist	polymer	119	13082.2	3	UniProt (O32726) Pfam (PF01740)	Geobacillus stearothermophilus	Stage II sporulation protein AA
3	G, I, K (A, C, E)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	H, J, L (A, C, E)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	3	Chemie (ATP)
5	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	155	Chemie (HOH)

Sequence modifications

A, C, E: 1 - 146 (UniProt: O32727)

PDB	External Database	Details
Met 34	Thr 34	SEE REMARK 999
His 137	Ala 137	SEE REMARK 999
Ile 138	Tyr 138	SEE REMARK 999
Val 139	Cys 139	SEE REMARK 999
Lys 140	Glu 140	SEE REMARK 999
Ser 141	Lys 141	SEE REMARK 999
Lys 142	Gln 142	SEE REMARK 999
Ala 143	Thr 143	SEE REMARK 999
Ser 145	Cys 145	engineered mutation

B, D, F: 1 - 116 (UniProt: O32726)

PDB	External Database	Details
Gly -2	-	cloning artifact
Ser -1	-	cloning artifact
His 0	-	cloning artifact
Val 13	Glu 13	SEE REMARK 999
Glu 29	Asn 29	SEE REMARK 999
Leu 30	Cys 30	SEE REMARK 999
Arg 31	Met 31	SEE REMARK 999
Glu 32	Asn 32	SEE REMARK 999
Gln 33	Lys 33	SEE REMARK 999
Val 34	Cys 34	SEE REMARK 999
Thr 35	Arg 35	SEE REMARK 999
Asp 36	Met 36	SEE REMARK 999
Val 37	Cys 37	SEE REMARK 999
Asn 40	Lys 40	SEE REMARK 999
Ala 58	Ser 58	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	87877.6
Non-Polymers*	Number of molecules	6
	Total formula weight	1594.5
All*	Total formula weight	89472.0

*Water molecules are not included.