2UZ3

Crystal Structure of Thymidine Kinase with dTTP from U. urealyticum

Replaces:  1XMR

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004797	molecular_function	thymidine kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006259	biological_process	DNA metabolic process
A	0008270	molecular_function	zinc ion binding
A	0009157	biological_process	deoxyribonucleoside monophosphate biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0046104	biological_process	thymidine metabolic process
A	0046872	molecular_function	metal ion binding
A	0071897	biological_process	DNA biosynthetic process
B	0000166	molecular_function	nucleotide binding
B	0004797	molecular_function	thymidine kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006259	biological_process	DNA metabolic process
B	0008270	molecular_function	zinc ion binding
B	0009157	biological_process	deoxyribonucleoside monophosphate biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0046104	biological_process	thymidine metabolic process
B	0046872	molecular_function	metal ion binding
B	0071897	biological_process	DNA biosynthetic process
C	0000166	molecular_function	nucleotide binding
C	0004797	molecular_function	thymidine kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006259	biological_process	DNA metabolic process
C	0008270	molecular_function	zinc ion binding
C	0009157	biological_process	deoxyribonucleoside monophosphate biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
C	0046104	biological_process	thymidine metabolic process
C	0046872	molecular_function	metal ion binding
C	0071897	biological_process	DNA biosynthetic process
D	0000166	molecular_function	nucleotide binding
D	0004797	molecular_function	thymidine kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006259	biological_process	DNA metabolic process
D	0008270	molecular_function	zinc ion binding
D	0009157	biological_process	deoxyribonucleoside monophosphate biosynthetic process
D	0016301	molecular_function	kinase activity
D	0016740	molecular_function	transferase activity
D	0046104	biological_process	thymidine metabolic process
D	0046872	molecular_function	metal ion binding
D	0071897	biological_process	DNA biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1218

Chain	Residue
A	CYS153
A	CYS156
A	CYS191
A	HIS194

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B2218

Chain	Residue
B	CYS153
B	CYS156
B	CYS191
B	HIS194

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG B2219

Chain	Residue
B	TTP2220
B	THR26

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C3218

Chain	Residue
C	CYS153
C	CYS156
C	CYS191
C	HIS194

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D4218

Chain	Residue
D	CYS153
D	CYS156
D	CYS191
D	HIS194

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG D4219

Chain	Residue
D	THR26
D	TTP4220

---

site_id	AC7
Number of Residues	19
Details	BINDING SITE FOR RESIDUE TTP A1220

Chain	Residue
A	MET21
A	PHE22
A	ALA23
A	GLY24
A	LYS25
A	THR26
A	GLN99
A	PHE100
A	ASN127
A	PHE128
A	PHE133
A	SER163
A	ILE178
A	VAL179
A	LYS180
A	ILE181
A	GLY182
A	TYR187
A	HOH2018

---

site_id	AC8
Number of Residues	26
Details	BINDING SITE FOR RESIDUE TTP B2220

Chain	Residue
B	MET21
B	PHE22
B	ALA23
B	GLY24
B	LYS25
B	THR26
B	ASP51
B	ARG53
B	ARG61
B	GLU97
B	PHE100
B	LEU124
B	ASN127
B	PHE128
B	PHE133
B	SER163
B	ARG165
B	ILE178
B	VAL179
B	LYS180
B	ILE181
B	GLY182
B	TYR187
B	HOH2003
B	HOH2052
B	MG2219

---

site_id	AC9
Number of Residues	20
Details	BINDING SITE FOR RESIDUE TTP C3220

Chain	Residue
C	MET21
C	PHE22
C	ALA23
C	GLY24
C	LYS25
C	THR26
C	PHE100
C	LEU124
C	ASN127
C	PHE128
C	PHE133
C	SER163
C	ARG165
C	ILE178
C	VAL179
C	LYS180
C	GLY182
C	TYR187
C	HOH2029
C	HOH2030

---

site_id	BC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE TTP D4220

Chain	Residue
D	LYS180
D	ILE181
D	GLY182
D	TYR187
D	HOH2004
D	HOH2043
D	MG4219
D	MET21
D	PHE22
D	ALA23
D	GLY24
D	LYS25
D	THR26
D	PHE100
D	LEU124
D	ASN127
D	PHE128
D	PHE133
D	SER163
D	ILE178
D	VAL179

---

Functional Information from PROSITE/UniProt

site_id	PS00603
Number of Residues	14
Details	TK_CELLULAR_TYPE Thymidine kinase cellular-type signature. GcqEfYsAvCRhHH

Chain	Residue	Details
A	GLY182-HIS195

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_00124

Chain	Residue	Details
A	GLU97
B	GLU97
C	GLU97
D	GLU97

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00124

Chain	Residue	Details
A	GLY19
A	ASP96
B	GLY19
B	ASP96
C	GLY19
C	ASP96
D	GLY19
D	ASP96

---

site_id	SWS_FT_FI3
Number of Residues	28
Details	BINDING:

Chain	Residue	Details
A	PHE128
B	CYS156
B	ILE178
B	TYR187
B	CYS191
B	HIS194
C	PHE128
C	CYS153
C	CYS156
C	ILE178
C	TYR187
A	CYS153
C	CYS191
C	HIS194
D	PHE128
D	CYS153
D	CYS156
D	ILE178
D	TYR187
D	CYS191
D	HIS194
A	CYS156
A	ILE178
A	TYR187
A	CYS191
A	HIS194
B	PHE128
B	CYS153

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