3OTU

PDK1 mutant bound to allosteric disulfide fragment activator JS30

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	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE J30 A 1

Chain	Residue
A	SO48
A	LYS115
A	ILE119
A	THR128
A	ARG131
A	CYS148
A	PHE149
A	GLN150
A	LEU155

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE BI4 A 360

Chain	Residue
A	LEU88
A	GLY89
A	ALA109
A	LYS111
A	GLU130
A	VAL143
A	LEU159
A	SER160
A	TYR161
A	ALA162
A	GLU166
A	GLU209
A	LEU212
A	THR222
A	ASP223

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 361

Chain	Residue
A	HOH35
A	LYS144
A	TYR146
A	SER160
A	GLN220

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	ALA284
A	GLY285
A	LEU289
A	LYS293
A	HOH392

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 3

Chain	Residue
A	ARG283
A	ALA284

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 4

Chain	Residue
A	HOH25
A	TYR156

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 5

Chain	Residue
A	PHE149
A	GLN150

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	TYR299

---

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 7

Chain	Residue
A	ASP138
A	TYR195
A	LYS199

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 8

Chain	Residue
A	J301
A	GLN150

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 362

Chain	Residue
A	GLU166

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 363

Chain	Residue
A	LYS169

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU88-LYS111

---

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

Chain	Residue	Details
A	ILE201-LEU213

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	44
Details	Region: {"description":"PIF-pocket","evidences":[{"source":"PubMed","id":"22999883","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
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	7
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12169624","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15741170","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22999883","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22999883","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"10455013","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11481331","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15772071","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16780920","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"MAR-2009","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Waridel P.","Quadroni M."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q9Z2A0","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by MELK","evidences":[{"source":"PubMed","id":"22544756","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---