2OID

Crystal structure of IRAK4 kinase domain complexed with AMPPNP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004672	molecular_function	protein kinase activity
A	0004674	molecular_function	protein serine/threonine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
A	0007165	biological_process	signal transduction
B	0000287	molecular_function	magnesium ion binding
B	0004672	molecular_function	protein kinase activity
B	0004674	molecular_function	protein serine/threonine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
B	0007165	biological_process	signal transduction
C	0000287	molecular_function	magnesium ion binding
C	0004672	molecular_function	protein kinase activity
C	0004674	molecular_function	protein serine/threonine kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
C	0007165	biological_process	signal transduction
D	0000287	molecular_function	magnesium ion binding
D	0004672	molecular_function	protein kinase activity
D	0004674	molecular_function	protein serine/threonine kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation
D	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE ANP A 1

Chain	Residue
A	GLY193
A	ASN316
A	LEU318
A	ASP329
A	HOH2096
A	HOH3003
A	GLU194
A	GLY195
A	GLY196
A	VAL200
A	TYR262
A	VAL263
A	MET265
A	LYS313

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ANP B 2

Chain	Residue
B	GLY196
B	VAL200
B	ALA211
B	TYR262
B	VAL263
B	MET265
B	ASP311
B	LYS313
B	ALA315
B	ASN316
B	LEU318
B	ASP329
B	HOH2016
B	HOH2017
B	HOH3109

---

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ANP C 3

Chain	Residue
C	MET192
C	GLY193
C	VAL200
C	ALA211
C	LYS213
C	VAL263
C	MET265
C	SER269
C	ASP311
C	LYS313
C	ALA315
C	ASN316
C	LEU318
C	ASP329
C	HOH3031
C	HOH3075

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ANP D 4

Chain	Residue
D	GLY193
D	GLU194
D	GLY195
D	PHE197
D	VAL200
D	ALA211
D	LYS213
D	VAL263
D	MET265
D	LYS313
D	ALA315
D	ASN316
D	LEU318
D	ASP329
D	HOH2123

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"17312103","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"DEC-2006","submissionDatabase":"PDB data bank","title":"Crystal structures of the apo and inhibited IRAK4 kinase domain.","authors":["Mol C.D.","Arduini R.M.","Baker D.P.","Chien E.Y.","Dougan D.R.","Friedman J.","Gibaja V.","Hession C.A.","Horne A."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"17161373","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17312103","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"DEC-2006","submissionDatabase":"PDB data bank","title":"Crystal structures of the apo and inhibited IRAK4 kinase domain.","authors":["Mol C.D.","Arduini R.M.","Baker D.P.","Chien E.Y.","Dougan D.R.","Friedman J.","Gibaja V.","Hession C.A.","Horne A."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"17161373","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17312103","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP311
A	ALA315

---

site_id	CSA10
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP311
B	LYS313
B	THR351

---

site_id	CSA11
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASP311
C	LYS313
C	THR351

---

site_id	CSA12
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASP311
D	LYS313
D	THR351

---

site_id	CSA13
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASN316
A	ASP311
A	LYS313

---

site_id	CSA14
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASN316
B	ASP311
B	LYS313

---

site_id	CSA15
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASN316
C	ASP311
C	LYS313

---

site_id	CSA16
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASN316
D	ASP311
D	LYS313

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP311
B	ALA315

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASP311
C	ALA315

---

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASP311
D	ALA315

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP311
A	LYS313

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP311
B	LYS313

---

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASP311
C	LYS313

---

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASP311
D	LYS313

---

site_id	CSA9
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP311
A	LYS313
A	THR351

---