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Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5MQV

Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0005524	molecular_function	ATP binding
C	0006468	biological_process	protein phosphorylation
D	0004672	molecular_function	protein kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation
E	0004672	molecular_function	protein kinase activity
E	0005524	molecular_function	ATP binding
E	0006468	biological_process	protein phosphorylation
F	0004672	molecular_function	protein kinase activity
F	0005524	molecular_function	ATP binding
F	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	binding site for residue D5Q A 301

Chain	Residue
A	ILE15
A	LEU135
A	LEU138
A	ILE148
A	HOH471
E	D5Q301
A	ILE23
A	ALA36
A	LYS38
A	MET80
A	MET82
A	GLU83
A	LEU85
A	PRO87

site_id	AC2
Number of Residues	4
Details	binding site for residue PO4 A 302

Chain	Residue
A	SER246
A	GLU247
A	LEU276
A	ARG279

site_id	AC3
Number of Residues	5
Details	binding site for residue PO4 A 303

Chain	Residue
A	GLU117
A	TYR266
A	SER267
A	ARG270
A	HOH489

site_id	AC4
Number of Residues	6
Details	binding site for residue PO4 A 304

Chain	Residue
A	ARG178
A	GLN214
A	GLY215
A	LYS224
A	HOH446
A	HOH472

site_id	AC5
Number of Residues	14
Details	binding site for residue D5Q B 301

Chain	Residue
B	ILE15
B	ILE23
B	ALA36
B	MET80
B	MET82
B	GLU83
B	LEU85
B	PRO87
B	LEU135
B	LEU138
B	ILE148
B	HOH438
B	HOH484
C	D5Q301

site_id	AC6
Number of Residues	5
Details	binding site for residue PO4 B 302

Chain	Residue
B	ARG178
B	GLY215
B	LYS224
B	HOH464
B	HOH475

site_id	AC7
Number of Residues	4
Details	binding site for residue PO4 B 303

Chain	Residue
B	GLU117
B	TYR266
B	SER267
B	ARG270

site_id	AC8
Number of Residues	5
Details	binding site for residue PO4 B 304

Chain	Residue
B	PRO245
B	SER246
B	GLU247
B	LEU276
B	ARG279

site_id	AC9
Number of Residues	4
Details	binding site for residue PO4 B 305

Chain	Residue
B	ARG157
B	ARG192
B	LYS263
B	HOH404

site_id	AD1
Number of Residues	13
Details	binding site for residue D5Q C 301

Chain	Residue
B	D5Q301
C	ILE15
C	ILE23
C	ALA36
C	MET80
C	MET82
C	GLU83
C	LEU85
C	PRO87
C	LEU135
C	LEU138
C	ILE148
C	HOH445

site_id	AD2
Number of Residues	4
Details	binding site for residue PO4 C 302

Chain	Residue
C	ARG178
C	GLY215
C	HOH402
C	HOH422

site_id	AD3
Number of Residues	9
Details	binding site for residue PO4 C 303

Chain	Residue
C	TYR284
C	ASP285
C	TYR286
E	TYR284
E	ASP285
E	TYR286
F	TYR284
F	ASP285
F	TYR286

site_id	AD4
Number of Residues	4
Details	binding site for residue PO4 C 305

Chain	Residue
C	GLU117
C	TYR266
C	SER267
C	ARG270

site_id	AD5
Number of Residues	6
Details	binding site for residue PO4 C 306

Chain	Residue
C	PRO245
C	SER246
C	GLU247
C	LEU276
C	ARG279
C	HOH416

site_id	AD6
Number of Residues	13
Details	binding site for residue D5Q D 301

Chain	Residue
D	ALA36
D	MET80
D	MET82
D	GLU83
D	LEU85
D	PRO87
D	LEU135
D	LEU138
D	ILE148
D	HOH454
F	D5Q301
D	ILE15
D	ILE23

site_id	AD7
Number of Residues	7
Details	binding site for residue PO4 D 302

Chain	Residue
B	ARG279
D	GLU117
D	LYS263
D	TYR266
D	SER267
D	ARG270
D	HOH463

site_id	AD8
Number of Residues	7
Details	binding site for residue PO4 D 303

Chain	Residue
A	ASP285
A	TYR286
B	TYR284
B	ASP285
B	TYR286
D	TYR284
D	TYR286

site_id	AD9
Number of Residues	4
Details	binding site for residue PO4 D 304

Chain	Residue
D	ARG178
D	GLN214
D	GLY215
D	LYS224

site_id	AE1
Number of Residues	4
Details	binding site for residue PO4 D 305

Chain	Residue
D	ARG157
D	HIS164
D	ARG192
D	LYS263

site_id	AE2
Number of Residues	6
Details	binding site for residue PO4 D 306

Chain	Residue
D	PRO245
D	SER246
D	GLU247
D	LEU276
D	ARG279
D	HOH405

site_id	AE3
Number of Residues	16
Details	binding site for residue D5Q E 301

Chain	Residue
A	D5Q301
E	ILE15
E	GLY18
E	ILE23
E	ALA36
E	LYS38
E	MET80
E	MET82
E	GLU83
E	LEU85
E	PRO87
E	LEU135
E	LEU138
E	ILE148
E	ASP149
E	HOH444

site_id	AE4
Number of Residues	5
Details	binding site for residue PO4 E 302

Chain	Residue
E	PRO245
E	SER246
E	GLU247
E	LEU276
E	ARG279

site_id	AE5
Number of Residues	4
Details	binding site for residue PO4 E 303

Chain	Residue
E	GLU117
E	TYR266
E	SER267
E	ARG270

site_id	AE6
Number of Residues	13
Details	binding site for residue D5Q F 301

Chain	Residue
D	D5Q301
F	ILE15
F	ILE23
F	ALA36
F	LYS38
F	MET80
F	MET82
F	GLU83
F	LEU85
F	PRO87
F	LEU135
F	ILE148
F	HOH455

site_id	AE7
Number of Residues	6
Details	binding site for residue PO4 F 302

Chain	Residue
E	ARG279
F	GLU117
F	TYR266
F	SER267
F	ARG270
F	HOH477

site_id	AE8
Number of Residues	5
Details	binding site for residue PO4 F 303

Chain	Residue
F	SER246
F	GLU247
F	LEU276
F	ARG279
F	HOH422

site_id	AE9
Number of Residues	7
Details	binding site for Di-peptide PO4 C 304 and LYS C 154

Chain	Residue
C	PHE124
C	ILE125
C	ARG127
C	ALA153
C	LYS155
C	TYR156
C	GLU189

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE15-LYS38

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

Chain	Residue	Details
A	PHE124-MET136

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU00159, ECO:0000255\|PROSITE-ProRule:PRU10027

Chain	Residue	Details
B	ASP128
C	ASP128
D	ASP128
E	ASP128
F	ASP128
A	ASP128

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000255\|PROSITE-ProRule:PRU00159

Chain	Residue	Details
D	ILE15
D	LYS38
E	ILE15
E	LYS38
F	ILE15
F	LYS38
A	ILE15
A	LYS38
B	ILE15
B	LYS38
C	ILE15
C	LYS38

219140

PDB entries from 2024-05-01

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