2XX3

HUMAN THYMIDYLATE KINASE COMPLEXED WITH thymidine butenyl phosphonate monophosphate and ADP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
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	0005829	cellular_component	cytosol
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	0046105	biological_process	thymidine biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE ADP A 302

Chain	Residue
A	ARG16
A	MET177
A	VAL178
A	ASP179
A	LYS182
A	ILE184
A	MG401
A	HOH2019
A	HOH2027
A	HOH2104
A	HOH2125
A	ALA17
A	HOH2141
A	HOH2146
A	HOH2174
A	HOH2202
A	GLY18
A	LYS19
A	SER20
A	THR21
A	ARG143
A	GLY144
A	ALA145

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 401

Chain	Residue
A	SER20
A	ADP302
A	HOH2019
A	HOH2020
A	HOH2022
A	HOH2104

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE TAE A 1213

Chain	Residue
A	PHE42
A	ARG45
A	PHE72
A	ARG76
A	ARG97
A	GLY102
A	PHE105
A	HIS148
A	ARG150
A	TYR151
A	HOH2022
A	HOH2084
A	HOH2143

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 1214

Chain	Residue
A	LYS25
A	GLN134
A	LEU161
A	HIS165
A	ILE184
A	HOH2126
A	HOH2129

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	VAL94-THR106

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	24
Details	Region: {"description":"LID","evidences":[{"source":"PubMed","id":"12614151","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12614151","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NMX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12614151","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NMZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1NMX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1NMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NMZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1NN5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---