2YOF

Plasmodium falciparum thymidylate kinase in complex with a (thio)urea- beta-deoxythymidine inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004385	molecular_function	GMP kinase activity
A	0004550	molecular_function	nucleoside diphosphate kinase activity
A	0004798	molecular_function	dTMP kinase activity
A	0005524	molecular_function	ATP binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0006177	biological_process	GMP biosynthetic process
A	0006227	biological_process	dUDP biosynthetic process
A	0006233	biological_process	dTDP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0009165	biological_process	nucleotide biosynthetic process
A	0016301	molecular_function	kinase activity
A	0016740	molecular_function	transferase activity
A	0046710	biological_process	GDP metabolic process
A	0050316	molecular_function	dGMP kinase activity
B	0000166	molecular_function	nucleotide binding
B	0004385	molecular_function	GMP kinase activity
B	0004550	molecular_function	nucleoside diphosphate kinase activity
B	0004798	molecular_function	dTMP kinase activity
B	0005524	molecular_function	ATP binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0006177	biological_process	GMP biosynthetic process
B	0006227	biological_process	dUDP biosynthetic process
B	0006233	biological_process	dTDP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0009165	biological_process	nucleotide biosynthetic process
B	0016301	molecular_function	kinase activity
B	0016740	molecular_function	transferase activity
B	0046710	biological_process	GDP metabolic process
B	0050316	molecular_function	dGMP kinase activity
C	0000166	molecular_function	nucleotide binding
C	0004385	molecular_function	GMP kinase activity
C	0004550	molecular_function	nucleoside diphosphate kinase activity
C	0004798	molecular_function	dTMP kinase activity
C	0005524	molecular_function	ATP binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0006177	biological_process	GMP biosynthetic process
C	0006227	biological_process	dUDP biosynthetic process
C	0006233	biological_process	dTDP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0009165	biological_process	nucleotide biosynthetic process
C	0016301	molecular_function	kinase activity
C	0016740	molecular_function	transferase activity
C	0046710	biological_process	GDP metabolic process
C	0050316	molecular_function	dGMP kinase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 74W A 211

Chain	Residue
A	ASP17
A	TYR107
A	GLU150
A	GLU151
A	TYR153
A	GLU154
A	HOH2072
A	HOH2117
A	HOH2148
A	HOH2180
A	ARG18
A	PHE44
A	ARG47
A	LEU59
A	PHE74
A	ARG78
A	ARG99
A	GLY104

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 74W B 211

Chain	Residue
B	ASP17
B	ARG47
B	LEU59
B	PHE74
B	ARG78
B	ARG99
B	GLY104
B	TYR107
B	GLU150
B	GLU151
B	TYR153
B	GLU154
B	HOH2117
B	HOH2146
B	HOH2190

---

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE 74W C 211

Chain	Residue
C	ASP17
C	SER22
C	PRO45
C	ARG47
C	LEU59
C	PHE74
C	ARG78
C	ARG99
C	SER103
C	GLY104
C	TYR107
C	TYR148
C	TYR153
C	ACT1212
C	HOH2012
C	HOH2018
C	HOH2048
C	HOH2084
C	HOH2105
C	HOH2135
C	HOH2137

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT A 1211

Chain	Residue
A	LEU42
A	TYR43
A	ASN46
A	HIS81

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 1211

Chain	Residue
B	LEU42
B	TYR43
B	ASN46
B	HIS81

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 1211

Chain	Residue
C	LEU42
C	TYR43
C	ASN46
C	HIS81

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ACT C 1212

Chain	Residue
C	ASP17
C	ARG18
C	SER19
C	GLY20
C	LYS21
C	SER22
C	TYR148
C	74W211
C	ACT1213
C	HOH2017

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT C 1213

Chain	Residue
C	GLY20
C	SER22
C	THR23
C	ARG145
C	TYR148
C	ACT1212

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TAM A 1212

Chain	Residue
A	LEU16
A	ARG18
A	SER19
A	GLY20
A	LYS21
A	SER22
A	THR23

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TAM B 1212

Chain	Residue
B	LEU16
B	ARG18
B	SER19
B	GLY20
B	LYS21
B	SER22
B	HOH2025

---

Functional Information from PROSITE/UniProt

site_id	PS01331
Number of Residues	13
Details	THYMIDYLATE_KINASE Thymidylate kinase signature. VCDRYaySGvAYS

Chain	Residue	Details
A	VAL96-SER108

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WWF","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	21
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"2WWF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WWG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WWI","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31934749","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WWG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Region: {"description":"LID","evidences":[{"source":"PubMed","id":"20353400","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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