3QD0

Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with (2R,5S)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide

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	6
Details	BINDING SITE FOR RESIDUE GOL A 360

Chain	Residue
A	SO41
A	SO42
A	ARG106
A	GLU107
A	SER160
A	TYR161

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 361

Chain	Residue
A	LYS337
A	LYS83
A	PHE84
A	GLU194

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 363

Chain	Residue
A	PHE84
A	LYS154
A	TYR156
A	GLU331
A	GLY332
A	HOH408

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 365

Chain	Residue
A	ALA103
A	THR104
A	SER105
A	HIS139
A	SER191
A	TRP347
A	GLU348
A	ASN349
A	LEU350
A	HIS351

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 366

Chain	Residue
A	LYS83
A	VAL345
A	THR346
A	TRP347
A	GLU348

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 368

Chain	Residue
A	PRO74
A	ARG75
A	ARG136
A	LYS199

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 369

Chain	Residue
A	LYS76
A	ARG131
A	THR148
A	PHE149
A	GLN150

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 3Q4 A 370

Chain	Residue
A	ALA109
A	LYS111
A	GLU130
A	LEU159
A	SER160
A	TYR161
A	ALA162
A	LEU212
A	THR222
A	ASP223
A	GLY225
A	THR226
A	GOL362

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1

Chain	Residue
A	TYR146
A	SER160
A	GLN220
A	GOL360

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	ARG106
A	HIS351
A	GOL360

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 362

Chain	Residue
A	PHE93
A	SER94
A	LYS111
A	TYR126
A	VAL127
A	GLU130
A	3Q4370
A	HOH389

---

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":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q9Z2A0","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"Phosphothreonine; by MELK","evidences":[{"source":"PubMed","id":"22544756","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---