4RA5

Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)

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	0004697	molecular_function	diacylglycerol-dependent serine/threonine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0004674	molecular_function	protein serine/threonine kinase activity
B	0004697	molecular_function	diacylglycerol-dependent serine/threonine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 3L0 A 801

Chain	Residue
A	LEU386
A	LEU511
A	ASP522
A	PHE664
A	GLY387
A	LYS388
A	VAL394
A	ALA407
A	MET458
A	GLU459
A	LEU461
A	ASP508

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA A 802

Chain	Residue
A	ASP594
A	HOH915
A	HOH916

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 803

Chain	Residue
A	ASP504
A	LYS506
A	ASP508
A	ASP522

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 804

Chain	Residue
A	GLY389
A	SER390

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3L0 B 801

Chain	Residue
B	LEU386
B	LYS388
B	THR442
B	MET458
B	GLU459
B	LEU461
B	ASP465
B	ASP508
B	ASP522

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGSFGKVFlAefkktnqf..........FAIK

Chain	Residue	Details
A	LEU386-LYS409

---

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvYrDLKldNILL

Chain	Residue	Details
A	ILE500-LEU512

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	508
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by PDPK1","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15364937","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2007","submissionDatabase":"PDB data bank","title":"The crystal structure of the kinase domain of the protein kinase C theta in complex with Nvp-Xaa228.","authors":["Stark W.","Bitsch F.","Berner A.","Buelens F.","Graff P.","Depersin H.","Fendrich G.","Geiser M.","Knecht R.","Rahuel J.","Rummel G.","Schlaeppi J.M.","Schmitz R.","Strauss A.","Wagner J."]}},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15364937","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2007","submissionDatabase":"PDB data bank","title":"The crystal structure of the kinase domain of the protein kinase C theta in complex with Nvp-Xaa228.","authors":["Stark W.","Bitsch F.","Berner A.","Buelens F.","Graff P.","Depersin H.","Fendrich G.","Geiser M.","Knecht R.","Rahuel J.","Rummel G.","Schlaeppi J.M.","Schmitz R.","Strauss A.","Wagner J."]}},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---