1TID

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 I

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	Anti-sigma F factor	polymer	136	15410.4	2	UniProt (O32727)	Geobacillus stearothermophilus	Stage II sporulation protein AB
2	B, D (B, D)	Anti-sigma F factor antagonist	polymer	119	13269.8	2	UniProt (O32726)	Geobacillus stearothermophilus	Stage II sporulation protein AA
3	E, G (A, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	F, H (A, C)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	2	Chemie (ATP)
5	I, J, K, L (A, B, C, D)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

A, C: 1 - 136 (UniProt: O32727)

PDB	External Database	Details
Mse 1	Met 1	modified residue
Mse 5	Met 5	modified residue
Mse 34	Thr 34	SEE REMARK 999
Mse 108	Met 108	modified residue
Mse 113	Met 113	modified residue
Mse 117	Met 117	modified residue

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

PDB	External Database	Details
Gly -2	-	cloning artifact
Ser -1	-	cloning artifact
His 0	-	cloning artifact
Mse 1	Met 1	modified residue
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
Mse 56	Met 56	modified residue
Ala 58	Ser 58	engineered mutation
Mse 78	Met 78	modified residue
Mse 93	Met 93	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	57360.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1063.0
All*	Total formula weight	58423.3

*Water molecules are not included.