Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5MQT

Crystal structure of dCK mutant C3S in complex with imatinib and UDP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004136	molecular_function	deoxyadenosine kinase activity
A	0004137	molecular_function	deoxycytidine kinase activity
A	0004138	molecular_function	deoxyguanosine kinase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006139	biological_process	nucleobase-containing compound metabolic process
A	0006220	biological_process	pyrimidine nucleotide metabolic process
A	0008144	molecular_function	obsolete drug binding
A	0009224	biological_process	CMP biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0019136	molecular_function	deoxynucleoside kinase activity
A	0042803	molecular_function	protein homodimerization activity
A	0043771	molecular_function	cytidine kinase activity
A	0106383	biological_process	dAMP salvage
A	1901135	biological_process	carbohydrate derivative metabolic process
A	1901293	biological_process	nucleoside phosphate biosynthetic process
B	0000166	molecular_function	nucleotide binding
B	0004136	molecular_function	deoxyadenosine kinase activity
B	0004137	molecular_function	deoxycytidine kinase activity
B	0004138	molecular_function	deoxyguanosine kinase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005829	cellular_component	cytosol
B	0006139	biological_process	nucleobase-containing compound metabolic process
B	0006220	biological_process	pyrimidine nucleotide metabolic process
B	0008144	molecular_function	obsolete drug binding
B	0009224	biological_process	CMP biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0019136	molecular_function	deoxynucleoside kinase activity
B	0042803	molecular_function	protein homodimerization activity
B	0043771	molecular_function	cytidine kinase activity
B	0106383	biological_process	dAMP salvage
B	1901135	biological_process	carbohydrate derivative metabolic process
B	1901293	biological_process	nucleoside phosphate biosynthetic process
C	0000166	molecular_function	nucleotide binding
C	0004136	molecular_function	deoxyadenosine kinase activity
C	0004137	molecular_function	deoxycytidine kinase activity
C	0004138	molecular_function	deoxyguanosine kinase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005654	cellular_component	nucleoplasm
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005829	cellular_component	cytosol
C	0006139	biological_process	nucleobase-containing compound metabolic process
C	0006220	biological_process	pyrimidine nucleotide metabolic process
C	0008144	molecular_function	obsolete drug binding
C	0009224	biological_process	CMP biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
C	0019136	molecular_function	deoxynucleoside kinase activity
C	0042803	molecular_function	protein homodimerization activity
C	0043771	molecular_function	cytidine kinase activity
C	0106383	biological_process	dAMP salvage
C	1901135	biological_process	carbohydrate derivative metabolic process
C	1901293	biological_process	nucleoside phosphate biosynthetic process
D	0000166	molecular_function	nucleotide binding
D	0004136	molecular_function	deoxyadenosine kinase activity
D	0004137	molecular_function	deoxycytidine kinase activity
D	0004138	molecular_function	deoxyguanosine kinase activity
D	0005515	molecular_function	protein binding
D	0005524	molecular_function	ATP binding
D	0005634	cellular_component	nucleus
D	0005654	cellular_component	nucleoplasm
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005829	cellular_component	cytosol
D	0006139	biological_process	nucleobase-containing compound metabolic process
D	0006220	biological_process	pyrimidine nucleotide metabolic process
D	0008144	molecular_function	obsolete drug binding
D	0009224	biological_process	CMP biosynthetic process
D	0016301	molecular_function	kinase activity
D	0016740	molecular_function	transferase activity
D	0019136	molecular_function	deoxynucleoside kinase activity
D	0042803	molecular_function	protein homodimerization activity
D	0043771	molecular_function	cytidine kinase activity
D	0106383	biological_process	dAMP salvage
D	1901135	biological_process	carbohydrate derivative metabolic process
D	1901293	biological_process	nucleoside phosphate biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue UDP A 301

Chain	Residue
A	ASN29
A	ARG192
A	ASP241
A	PHE242
A	LYS243
A	ALA31
A	ALA32
A	GLY33
A	LYS34
A	SER35
A	THR36
A	ARG188
A	LEU191

site_id	AC2
Number of Residues	9
Details	binding site for residue STI A 302

Chain	Residue
A	MET85
A	TYR86
A	PRO89
A	GLU90
A	PHE96
A	GLN97
A	ARG128
A	PHE137
A	SER144

site_id	AC3
Number of Residues	5
Details	binding site for residue MG B 301

Chain	Residue
B	SER35
B	GLU127
B	ARG194
B	UDP302
B	DCM303

site_id	AC4
Number of Residues	14
Details	binding site for residue UDP B 302

Chain	Residue
B	ALA31
B	ALA32
B	GLY33
B	LYS34
B	SER35
B	THR36
B	GLU127
B	ARG188
B	ARG192
B	ASP241
B	PHE242
B	LYS243
B	MG301
B	DCM303

site_id	AC5
Number of Residues	17
Details	binding site for residue DCM B 303

Chain	Residue
B	ILE30
B	ALA31
B	LYS34
B	GLU53
B	TRP58
B	LEU82
B	TYR86
B	PHE96
B	GLN97
B	ARG128
B	ASP133
B	PHE137
B	ARG192
B	ARG194
B	GLU197
B	MG301
B	UDP302

site_id	AC6
Number of Residues	13
Details	binding site for residue UDP C 301

Chain	Residue
C	ALA31
C	ALA32
C	GLY33
C	LYS34
C	SER35
C	THR36
C	GLU127
C	ARG188
C	LEU191
C	ARG192
C	ASP241
C	PHE242
C	LYS243

site_id	AC7
Number of Residues	13
Details	binding site for residue STI C 302

Chain	Residue
C	ILE30
C	GLU53
C	LEU82
C	MET85
C	TYR86
C	PRO89
C	GLU90
C	PHE96
C	ARG128
C	PHE137
C	SER144
C	GLU197
C	TYR204

site_id	AC8
Number of Residues	12
Details	binding site for residue UDP D 301

Chain	Residue
D	ALA31
D	ALA32
D	GLY33
D	LYS34
D	SER35
D	THR36
D	ARG188
D	ARG192
D	ASP241
D	PHE242
D	LYS243
D	DCM302

site_id	AC9
Number of Residues	13
Details	binding site for residue DCM D 302

Chain	Residue
D	VAL55
D	ALA56
D	PHE96
D	GLN97
D	GLU127
D	ARG128
D	PHE137
D	ARG194
D	GLU197
D	UDP301
D	ILE30
D	LYS34
D	GLU53

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	80
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"Phosphothreonine; by CK1","evidences":[{"source":"PubMed","id":"20637175","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"20637175","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)