3EHW

Human dUTPase in complex with alpha,beta-imido-dUTP and Mg2+: visualization of the full-length C-termini in all monomers and suggestion for an additional metal ion binding site

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004170	molecular_function	dUTP diphosphatase activity
A	0006226	biological_process	dUMP biosynthetic process
A	0046081	biological_process	dUTP catabolic process
B	0000287	molecular_function	magnesium ion binding
B	0004170	molecular_function	dUTP diphosphatase activity
B	0006226	biological_process	dUMP biosynthetic process
B	0046081	biological_process	dUTP catabolic process
C	0000287	molecular_function	magnesium ion binding
C	0004170	molecular_function	dUTP diphosphatase activity
C	0006226	biological_process	dUMP biosynthetic process
C	0046081	biological_process	dUTP catabolic process
X	0000287	molecular_function	magnesium ion binding
X	0004170	molecular_function	dUTP diphosphatase activity
X	0006226	biological_process	dUMP biosynthetic process
X	0046081	biological_process	dUTP catabolic process
Y	0000287	molecular_function	magnesium ion binding
Y	0004170	molecular_function	dUTP diphosphatase activity
Y	0006226	biological_process	dUMP biosynthetic process
Y	0046081	biological_process	dUTP catabolic process
Z	0000287	molecular_function	magnesium ion binding
Z	0004170	molecular_function	dUTP diphosphatase activity
Z	0006226	biological_process	dUMP biosynthetic process
Z	0046081	biological_process	dUTP catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DUP C 777

Chain	Residue
A	ARG85
B	VAL100
B	ILE101
B	ASP102
B	TYR105
B	GLY110
B	HOH778
C	ARG153
C	GLY157
C	PHE158
C	GLY159
A	SER86
C	SER160
C	THR161
C	HOH780
C	HOH857
X	HOH790
X	HOH856
A	GLY87
A	GLN131
A	MG165
A	HOH850
A	HOH854
B	ALA98
B	GLY99

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 165

Chain	Residue
A	HOH850
A	HOH854
C	DUP777
C	HOH857

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 778

Chain	Residue
B	DUP777
B	HOH849
C	HOH855
X	HOH874

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 165

Chain	Residue
A	DUP777
B	HOH796
B	HOH856
X	HOH888

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG Z 165

Chain	Residue
Y	DUP777
Y	HOH854
Z	HOH779
Z	HOH836

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG X 165

Chain	Residue
X	HOH828
X	HOH990
Z	DUP777
Z	HOH839

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG Y 165

Chain	Residue
X	DUP777
X	HOH920
X	HOH993
Y	HOH852

---

site_id	AC8
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DUP B 777

Chain	Residue
A	ALA98
A	GLY99
A	VAL100
A	ILE101
A	ASP102
A	TYR105
A	GLY110
A	HOH779
B	ARG153
B	GLY157
B	PHE158
B	GLY159
B	SER160
B	THR161
B	HOH779
B	HOH780
B	HOH849
C	ARG85
C	SER86
C	GLY87
C	GLN131
C	MG778
C	HOH855
X	HOH784
X	HOH874

---

site_id	AC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DUP A 777

Chain	Residue
A	ARG153
A	GLY157
A	PHE158
A	GLY159
A	SER160
A	THR161
A	HOH783
B	ARG85
B	SER86
B	GLY87
B	GLN131
B	MG165
B	HOH796
B	HOH856
C	ALA98
C	GLY99
C	VAL100
C	ILE101
C	ASP102
C	TYR105
C	GLY110
X	HOH786
X	HOH799
X	HOH800
X	HOH888

---

site_id	BC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE DUP Y 777

Chain	Residue
X	ALA98
X	GLY99
X	VAL100
X	ILE101
X	ASP102
X	TYR105
X	ASN108
X	GLY110
X	HOH796
X	HOH849
X	HOH868
Y	ARG153
Y	GLY157
Y	PHE158
Y	GLY159
Y	SER160
Y	THR161
Y	HOH780
Y	HOH854
Z	ARG85
Z	SER86
Z	GLY87
Z	GLN131
Z	MG165
Z	HOH779
Z	HOH836

---

site_id	BC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DUP Z 777

Chain	Residue
X	ARG85
X	SER86
X	GLY87
X	GLN131
X	MG165
X	HOH788
X	HOH828
X	HOH990
Y	ALA98
Y	GLY99
Y	VAL100
Y	ILE101
Y	ASP102
Y	TYR105
Y	GLY110
Y	HOH778
Z	ARG153
Z	GLY157
Z	PHE158
Z	GLY159
Z	SER160
Z	THR161
Z	HOH781
Z	HOH782
Z	HOH839

---

site_id	BC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE DUP X 777

Chain	Residue
X	ARG153
X	GLY157
X	PHE158
X	GLY159
X	SER160
X	THR161
X	HOH779
X	HOH783
X	HOH831
X	HOH920
X	HOH993
Y	ARG85
Y	SER86
Y	GLY87
Y	GLN131
Y	MG165
Y	HOH852
Z	ALA98
Z	GLY99
Z	VAL100
Z	ILE101
Z	ASP102
Z	TYR105
Z	GLY110
Z	HOH778

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG X 778

Chain	Residue
X	ASP95
X	HOH953
X	HOH960
X	HOH994
Y	ASP95
Y	HOH824
Z	ASP95

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 778

Chain	Residue
A	ASP95
A	HOH839
A	HOH852
B	ASP95
B	HOH803
B	HOH883
C	ASP95

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	18
Details	BINDING: BINDING => ECO:0000269|PubMed:8805593, ECO:0000305|PubMed:17880943, ECO:0007744|PDB:1Q5H, ECO:0007744|PDB:2HQU, ECO:0007744|PDB:3EHW

Chain	Residue	Details
C	ARG85
C	ARG153
C	PHE158
X	ARG85
X	ARG153
X	PHE158
Y	ARG85
Y	ARG153
Y	PHE158
Z	ARG85
Z	ARG153
Z	PHE158
A	ARG85
A	ARG153
A	PHE158
B	ARG85
B	ARG153
B	PHE158

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:8805593, ECO:0000305|PubMed:17880943, ECO:0007744|PDB:1Q5H, ECO:0007744|PDB:2HQU, ECO:0007744|PDB:3ARA, ECO:0007744|PDB:3ARN, ECO:0007744|PDB:3EHW

Chain	Residue	Details
X	GLY99
X	GLY110
Y	GLY99
Y	GLY110
Z	GLY99
Z	GLY110
A	GLY99
A	GLY110
B	GLY99
B	GLY110
C	GLY99
C	GLY110

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	LEU88
B	LEU88
C	LEU88
Y	LEU88
Z	LEU88
X	LEU88

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	GLY99
B	GLY99
C	GLY99
X	GLY99
Y	GLY99
Z	GLY99

---