6LXY

IRAK4 in complex with inhibitor

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
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
E	0000287	molecular_function	magnesium ion binding
E	0004672	molecular_function	protein kinase activity
E	0004674	molecular_function	protein serine/threonine kinase activity
E	0005524	molecular_function	ATP binding
E	0006468	biological_process	protein phosphorylation
E	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue EXF A 501

Chain	Residue
A	ILE185
A	ASN267
A	GLY268
A	ASP272
A	ARG273
A	THR280
A	LEU318
A	SER328
A	HOH604
A	HOH621
A	HOH633
A	MET192
A	HOH636
A	HOH650
A	ALA211
A	VAL246
A	TYR262
A	VAL263
A	TYR264
A	MET265
A	PRO266

---

site_id	AC2
Number of Residues	3
Details	binding site for residue SO4 B 501

Chain	Residue
B	LYS202
B	TYR204
B	HOH620

---

site_id	AC3
Number of Residues	17
Details	binding site for residue EXF B 502

Chain	Residue
B	ILE185
B	MET192
B	VAL200
B	ALA211
B	TYR262
B	VAL263
B	TYR264
B	MET265
B	PRO266
B	GLY268
B	ASP272
B	ARG273
B	THR280
B	LEU318
B	SER328
B	HOH606
B	HOH639

---

site_id	AC4
Number of Residues	2
Details	binding site for residue SO4 D 501

Chain	Residue
A	ASN207
D	SER423

---

site_id	AC5
Number of Residues	16
Details	binding site for residue EXF D 502

Chain	Residue
D	MET192
D	VAL200
D	ALA211
D	TYR262
D	VAL263
D	TYR264
D	MET265
D	PRO266
D	GLY268
D	ASP272
D	ARG273
D	THR280
D	LEU318
D	HOH604
D	HOH616
D	HOH618

---

site_id	AC6
Number of Residues	2
Details	binding site for residue SO4 E 501

Chain	Residue
B	ASN207
E	SER423

---

site_id	AC7
Number of Residues	15
Details	binding site for residue EXF E 502

Chain	Residue
E	MET192
E	VAL200
E	ALA211
E	TYR262
E	VAL263
E	TYR264
E	MET265
E	PRO266
E	ASN267
E	GLY268
E	ARG273
E	THR280
E	LEU318
E	HOH608
E	HOH616

---

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	32
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
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_FI5
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_FI6
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

---