1THN

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
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	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
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	0000166	molecular_function	nucleotide binding
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	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
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	17
Details	BINDING SITE FOR RESIDUE ADP A 200

Chain	Residue
A	ASN50
A	SER106
A	GLY107
A	GLY109
A	PHE110
A	THR130
A	HOH202
A	HOH213
A	HOH223
A	HIS54
A	GLY55
A	GLY85
A	ALA92
A	PHE97
A	THR98
A	THR99
A	ARG105

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ADP C 201

Chain	Residue
C	ASN50
C	HIS54
C	GLY55
C	ASP81
C	GLY85
C	ILE86
C	PHE97
C	THR98
C	THR99
C	ARG105
C	GLY107
C	GLY109
C	PHE110
C	THR130
D	HOH121

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE DMF A 201

Chain	Residue
A	GLN29
C	GLU14

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	220
Details	Domain: {"description":"STAS","evidences":[{"source":"PROSITE-ProRule","id":"PRU00198","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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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

---

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

Chain	Residue	Details
C	GLU46
C	ARG105

---

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

---

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

---