3Q89

Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with CDP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004550	molecular_function	nucleoside diphosphate kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0006183	biological_process	GTP biosynthetic process
A	0006228	biological_process	UTP biosynthetic process
A	0006241	biological_process	CTP biosynthetic process
A	0009117	biological_process	nucleotide metabolic process
A	0009142	biological_process	nucleoside triphosphate biosynthetic process
A	0016301	molecular_function	kinase activity
A	0046872	molecular_function	metal ion binding
B	0004550	molecular_function	nucleoside diphosphate kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0006183	biological_process	GTP biosynthetic process
B	0006228	biological_process	UTP biosynthetic process
B	0006241	biological_process	CTP biosynthetic process
B	0009117	biological_process	nucleotide metabolic process
B	0009142	biological_process	nucleoside triphosphate biosynthetic process
B	0016301	molecular_function	kinase activity
B	0046872	molecular_function	metal ion binding
C	0004550	molecular_function	nucleoside diphosphate kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0006183	biological_process	GTP biosynthetic process
C	0006228	biological_process	UTP biosynthetic process
C	0006241	biological_process	CTP biosynthetic process
C	0009117	biological_process	nucleotide metabolic process
C	0009142	biological_process	nucleoside triphosphate biosynthetic process
C	0016301	molecular_function	kinase activity
C	0046872	molecular_function	metal ion binding
D	0004550	molecular_function	nucleoside diphosphate kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0006183	biological_process	GTP biosynthetic process
D	0006228	biological_process	UTP biosynthetic process
D	0006241	biological_process	CTP biosynthetic process
D	0009117	biological_process	nucleotide metabolic process
D	0009142	biological_process	nucleoside triphosphate biosynthetic process
D	0016301	molecular_function	kinase activity
D	0046872	molecular_function	metal ion binding
E	0004550	molecular_function	nucleoside diphosphate kinase activity
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0006183	biological_process	GTP biosynthetic process
E	0006228	biological_process	UTP biosynthetic process
E	0006241	biological_process	CTP biosynthetic process
E	0009117	biological_process	nucleotide metabolic process
E	0009142	biological_process	nucleoside triphosphate biosynthetic process
E	0016301	molecular_function	kinase activity
E	0046872	molecular_function	metal ion binding
F	0004550	molecular_function	nucleoside diphosphate kinase activity
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0006183	biological_process	GTP biosynthetic process
F	0006228	biological_process	UTP biosynthetic process
F	0006241	biological_process	CTP biosynthetic process
F	0009117	biological_process	nucleotide metabolic process
F	0009142	biological_process	nucleoside triphosphate biosynthetic process
F	0016301	molecular_function	kinase activity
F	0046872	molecular_function	metal ion binding
G	0004550	molecular_function	nucleoside diphosphate kinase activity
G	0005524	molecular_function	ATP binding
G	0005737	cellular_component	cytoplasm
G	0006183	biological_process	GTP biosynthetic process
G	0006228	biological_process	UTP biosynthetic process
G	0006241	biological_process	CTP biosynthetic process
G	0009117	biological_process	nucleotide metabolic process
G	0009142	biological_process	nucleoside triphosphate biosynthetic process
G	0016301	molecular_function	kinase activity
G	0046872	molecular_function	metal ion binding
H	0004550	molecular_function	nucleoside diphosphate kinase activity
H	0005524	molecular_function	ATP binding
H	0005737	cellular_component	cytoplasm
H	0006183	biological_process	GTP biosynthetic process
H	0006228	biological_process	UTP biosynthetic process
H	0006241	biological_process	CTP biosynthetic process
H	0009117	biological_process	nucleotide metabolic process
H	0009142	biological_process	nucleoside triphosphate biosynthetic process
H	0016301	molecular_function	kinase activity
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG B 159

Chain	Residue
B	CDP158

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE CDP B 158

Chain	Residue
B	MG159
B	LYS9
B	HIS52
B	PHE57
B	THR91
B	ARG102
B	VAL109
B	GLY110
B	ASN112

---

site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG E 159

Chain	Residue
E	CDP158

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CDP E 158

Chain	Residue
E	LYS9
E	HIS52
E	PHE57
E	LEU61
E	THR91
E	ARG102
E	VAL109
E	GLY110
E	ASN112
E	MG159

---

Functional Information from PROSITE/UniProt

site_id	PS00469
Number of Residues	9
Details	NDPK Nucleoside diphosphate kinase (NDPK) active site signature. NiiHGSDSL

Chain	Residue	Details
A	ASN112-LEU120

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Pros-phosphohistidine intermediate => ECO:0000255|HAMAP-Rule:MF_00451

Chain	Residue	Details
A	HIS115
B	HIS115
C	HIS115
D	HIS115
E	HIS115
F	HIS115
G	HIS115
H	HIS115

---

site_id	SWS_FT_FI2
Number of Residues	48
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00451

Chain	Residue	Details
A	LYS9
B	THR91
B	ARG102
B	ASN112
C	LYS9
C	PHE57
C	ARG85
C	THR91
C	ARG102
C	ASN112
D	LYS9
A	PHE57
D	PHE57
D	ARG85
D	THR91
D	ARG102
D	ASN112
E	LYS9
E	PHE57
E	ARG85
E	THR91
E	ARG102
A	ARG85
E	ASN112
F	LYS9
F	PHE57
F	ARG85
F	THR91
F	ARG102
F	ASN112
G	LYS9
G	PHE57
G	ARG85
A	THR91
G	THR91
G	ARG102
G	ASN112
H	LYS9
H	PHE57
H	ARG85
H	THR91
H	ARG102
H	ASN112
A	ARG102
A	ASN112
B	LYS9
B	PHE57
B	ARG85

---