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

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
E	0000166	molecular_function	nucleotide binding
E	0004672	molecular_function	protein kinase activity
E	0004674	molecular_function	protein serine/threonine kinase activity
E	0005515	molecular_function	protein binding
E	0005524	molecular_function	ATP binding
E	0006468	biological_process	protein phosphorylation
E	0010468	biological_process	regulation of gene expression
E	0016301	molecular_function	kinase activity
E	0016740	molecular_function	transferase activity
E	0016989	molecular_function	sigma factor antagonist activity
E	0030435	biological_process	sporulation resulting in formation of a cellular spore
E	0030436	biological_process	asexual sporulation
E	0042174	biological_process	negative regulation of sporulation resulting in formation of a cellular spore
E	0045892	biological_process	negative regulation of DNA-templated transcription
E	0106310	molecular_function	protein serine kinase activity
F	0005515	molecular_function	protein binding
F	0006355	biological_process	regulation of DNA-templated transcription
F	0030435	biological_process	sporulation resulting in formation of a cellular spore
F	0043856	molecular_function	anti-sigma factor antagonist activity
F	0045152	molecular_function	antisigma factor binding
F	0045893	biological_process	positive regulation of DNA-templated transcription

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG A 300

Chain	Residue
A	GLU46
A	ASN50
A	ATP200

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 301

Chain	Residue
C	GLU46
C	ASN50
C	ATP201

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 302

Chain	Residue
E	ATP202
E	GLU46
E	ASN50
E	GLY109

---

site_id	AC4
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ATP A 200

Chain	Residue
A	GLU46
A	ASN50
A	ALA51
A	HIS54
A	GLY55
A	ASP81
A	GLY85
A	ILE86
A	ALA92
A	THR98
A	THR99
A	ARG105
A	SER106
A	GLY107
A	MET108
A	GLY109
A	PHE110
A	THR130
A	MG300
A	HOH301
A	HOH305
A	HOH316
A	HOH320
B	ALA58

---

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE ATP C 201

Chain	Residue
C	GLU46
C	ASN50
C	HIS54
C	GLY55
C	ASP81
C	GLY85
C	ILE86
C	ALA92
C	THR98
C	THR99
C	ARG105
C	SER106
C	GLY107
C	MET108
C	GLY109
C	PHE110
C	THR130
C	MG301
C	HOH308
C	HOH315
C	HOH329
D	ALA58

---

site_id	AC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ATP E 202

Chain	Residue
E	GLU46
E	ASN50
E	ALA51
E	HIS54
E	GLY55
E	ASP81
E	ILE86
E	ALA92
E	THR98
E	THR99
E	ARG105
E	SER106
E	GLY107
E	MET108
E	GLY109
E	PHE110
E	THR130
E	MG302
E	HOH318
F	ALA58

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	330
Details	Domain: {"description":"STAS","evidences":[{"source":"PROSITE-ProRule","id":"PRU00198","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

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	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1l0o

Chain	Residue	Details
E	GLU46
E	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

---

site_id	MCSA3
Number of Residues	3
Details	M-CSA 760

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

---