5MQT

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004136	molecular_function	deoxyadenosine kinase activity
A	0004137	molecular_function	deoxycytidine kinase activity
A	0004138	molecular_function	deoxyguanosine kinase activity
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	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	0004136	molecular_function	deoxyadenosine kinase activity
B	0004137	molecular_function	deoxycytidine kinase activity
B	0004138	molecular_function	deoxyguanosine kinase activity
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	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	0004136	molecular_function	deoxyadenosine kinase activity
C	0004137	molecular_function	deoxycytidine kinase activity
C	0004138	molecular_function	deoxyguanosine kinase activity
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	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	0004136	molecular_function	deoxyadenosine kinase activity
D	0004137	molecular_function	deoxycytidine kinase activity
D	0004138	molecular_function	deoxyguanosine kinase activity
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	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	ACT_SITE: Proton acceptor => ECO:0000255

Chain	Residue	Details
A	GLU127
B	GLU127
C	GLU127
D	GLU127

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	BINDING:

Chain	Residue	Details
A	GLY28
B	GLY28
B	GLU53
B	TYR86
B	GLN97
B	ARG128
B	ASP133
B	ARG188
B	GLU197
B	GLU240
C	GLY28
A	GLU53
C	GLU53
C	TYR86
C	GLN97
C	ARG128
C	ASP133
C	ARG188
C	GLU197
C	GLU240
D	GLY28
D	GLU53
A	TYR86
D	TYR86
D	GLN97
D	ARG128
D	ASP133
D	ARG188
D	GLU197
D	GLU240
A	GLN97
A	ARG128
A	ASP133
A	ARG188
A	GLU197
A	GLU240

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	MOD_RES: Phosphoserine; by CK1 => ECO:0000305|PubMed:20637175

Chain	Residue	Details
A	SER11
A	SER15
B	SER11
B	SER15
C	SER11
C	SER15
D	SER11
D	SER15

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: Phosphothreonine; by CK1 => ECO:0000305|PubMed:20637175

Chain	Residue	Details
A	THR72
B	THR72
C	THR72
D	THR72

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:20637175, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER74
B	SER74
C	SER74
D	SER74

---