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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0010468	biological_process	regulation of gene expression
A	0016989	molecular_function	sigma factor antagonist activity
A	0030435	biological_process	sporulation resulting in formation of a cellular spore
A	0030436	biological_process	asexual sporulation
A	0042174	biological_process	negative regulation of sporulation resulting in formation of a cellular spore
A	0045892	biological_process	negative regulation of DNA-templated transcription
A	0106310	molecular_function	protein serine kinase activity
B	0005515	molecular_function	protein binding
B	0006355	biological_process	regulation of DNA-templated transcription
B	0030435	biological_process	sporulation resulting in formation of a cellular spore
B	0043856	molecular_function	anti-sigma factor antagonist activity
B	0045152	molecular_function	antisigma factor binding
B	0045893	biological_process	positive regulation of DNA-templated transcription
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
C	0010468	biological_process	regulation of gene expression
C	0016989	molecular_function	sigma factor antagonist activity
C	0030435	biological_process	sporulation resulting in formation of a cellular spore
C	0030436	biological_process	asexual sporulation
C	0042174	biological_process	negative regulation of sporulation resulting in formation of a cellular spore
C	0045892	biological_process	negative regulation of DNA-templated transcription
C	0106310	molecular_function	protein serine kinase activity
D	0005515	molecular_function	protein binding
D	0006355	biological_process	regulation of DNA-templated transcription
D	0030435	biological_process	sporulation resulting in formation of a cellular spore
D	0043856	molecular_function	anti-sigma factor antagonist activity
D	0045152	molecular_function	antisigma factor binding
D	0045893	biological_process	positive regulation of DNA-templated transcription

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 300

Chain	Residue
A	ASN50
A	ATP200
A	HOH301
A	HOH313

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site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG C 301

Chain	Residue
C	ASN50
C	ATP201

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site_id	AC3
Number of Residues	26
Details	BINDING SITE FOR RESIDUE ATP A 200

Chain	Residue
A	HIS54
A	ASP81
A	VAL84
A	GLY85
A	ILE86
A	ALA92
A	PHE97
A	THR98
A	THR99
A	ARG105
A	SER106
A	GLY107
A	MSE108
A	GLY109
A	PHE110
A	THR130
A	MG300
A	HOH301
A	HOH305
A	HOH312
A	HOH313
A	HOH314
B	ALA58
A	GLU46
A	ASN50
A	ALA51

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site_id	AC4
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ATP C 201

Chain	Residue
C	GLU46
C	ASN50
C	ALA51
C	HIS54
C	GLY55
C	ASP81
C	GLY85
C	ILE86
C	ALA92
C	PHE97
C	THR98
C	THR99
C	ARG105
C	SER106
C	GLY107
C	MSE108
C	GLY109
C	PHE110
C	MG301
C	HOH319
C	HOH320
D	ALA58
D	HOH119

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250

Chain	Residue	Details
B	ALA58
D	ALA58

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1l0o

Chain	Residue	Details
A	GLU46
A	ARG105

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site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1l0o

Chain	Residue	Details
C	GLU46
C	ARG105

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site_id	MCSA1
Number of Residues	3
Details	M-CSA 760

Chain	Residue	Details
A	GLU46	activator, electrostatic stabiliser, proton acceptor
A	ASN50	metal ligand
A	ARG105	electrostatic stabiliser, polar interaction

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site_id	MCSA2
Number of Residues	3
Details	M-CSA 760

Chain	Residue	Details
C	GLU46	activator, electrostatic stabiliser, proton acceptor
C	ASN50	metal ligand
C	ARG105	electrostatic stabiliser, polar interaction

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