6AVP

Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004594	molecular_function	pantothenate kinase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0015937	biological_process	coenzyme A biosynthetic process
A	0016301	molecular_function	kinase activity
B	0004594	molecular_function	pantothenate kinase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0015937	biological_process	coenzyme A biosynthetic process
B	0016301	molecular_function	kinase activity
C	0004594	molecular_function	pantothenate kinase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0015937	biological_process	coenzyme A biosynthetic process
C	0016301	molecular_function	kinase activity
D	0004594	molecular_function	pantothenate kinase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0015937	biological_process	coenzyme A biosynthetic process
D	0016301	molecular_function	kinase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	binding site for residue ADP A 301

Chain	Residue
A	GLY8
A	GLN125
A	TYR137
A	GLY224
A	SER225
A	SER226
A	N7E302
A	MG303
A	HOH416
A	HOH427
B	ASN20
A	GLY9
B	GLN21
A	THR10
A	LEU11
A	LYS13
A	GLY98
A	THR99
A	GLY121
A	GLY122

---

site_id	AC2
Number of Residues	20
Details	binding site for residue N7E A 302

Chain	Residue
A	GLY9
A	GLU70
A	THR99
A	GLY100
A	THR101
A	SER102
A	ARG113
A	GLY116
A	ILE117
A	ADP301
A	MG303
A	HOH401
A	HOH412
A	HOH424
A	HOH427
A	HOH430
C	ILE159
C	THR172
C	ALA173
C	TYR240

---

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 303

Chain	Residue
A	ADP301
A	N7E302
A	HOH412
A	HOH416
A	HOH424
A	HOH427

---

site_id	AC4
Number of Residues	22
Details	binding site for residue ADP B 301

Chain	Residue
A	ASN20
A	GLN21
B	GLY8
B	GLY9
B	THR10
B	LEU11
B	LYS13
B	GLY98
B	THR99
B	GLY121
B	GLY122
B	GLN125
B	TYR137
B	GLY224
B	SER225
B	SER226
B	N7E302
B	MG303
B	HOH409
B	HOH410
B	HOH412
B	HOH413

---

site_id	AC5
Number of Residues	22
Details	binding site for residue N7E B 302

Chain	Residue
B	GLY9
B	GLU70
B	THR99
B	GLY100
B	THR101
B	SER102
B	ARG113
B	GLY116
B	ILE117
B	ADP301
B	MG303
B	HOH408
B	HOH409
B	HOH413
B	HOH414
B	HOH427
D	VAL156
D	ASP170
D	LEU171
D	THR172
D	ALA173
D	TYR240

---

site_id	AC6
Number of Residues	6
Details	binding site for residue MG B 303

Chain	Residue
B	ADP301
B	N7E302
B	HOH408
B	HOH409
B	HOH410
B	HOH413

---

site_id	AC7
Number of Residues	17
Details	binding site for residue ADP C 301

Chain	Residue
C	LEU11
C	LYS13
C	GLY98
C	THR99
C	GLY121
C	GLY122
C	GLN125
C	TYR137
C	SER225
C	SER226
C	N7E302
C	MG303
C	HOH411
C	HOH426
C	GLY8
C	GLY9
C	THR10

---

site_id	AC8
Number of Residues	22
Details	binding site for residue N7E C 302

Chain	Residue
A	ILE159
A	ILE167
A	LEU171
A	THR172
A	ALA173
A	GLU202
A	TYR240
C	GLY9
C	GLU70
C	PHE71
C	THR99
C	GLY100
C	THR101
C	SER102
C	ARG113
C	GLY116
C	ADP301
C	MG303
C	HOH407
C	HOH411
C	HOH413
C	HOH418

---

site_id	AC9
Number of Residues	6
Details	binding site for residue MG C 303

Chain	Residue
C	ADP301
C	N7E302
C	HOH411
C	HOH413
C	HOH418
C	HOH426

---

site_id	AD1
Number of Residues	18
Details	binding site for residue ADP D 301

Chain	Residue
D	GLY8
D	GLY9
D	THR10
D	LEU11
D	LYS13
D	GLY98
D	THR99
D	GLY121
D	GLY122
D	GLN125
D	TYR137
D	GLY224
D	SER225
D	SER226
D	N7E302
D	MG303
D	HOH401
D	HOH406

---

site_id	AD2
Number of Residues	20
Details	binding site for residue N7E D 302

Chain	Residue
B	LEU171
B	THR172
B	ALA173
B	GLU202
B	TYR240
D	GLY9
D	GLU70
D	PHE71
D	THR99
D	GLY100
D	THR101
D	SER102
D	ARG113
D	GLY116
D	ILE117
D	ADP301
D	MG303
D	HOH403
D	HOH406
D	HOH409

---

site_id	AD3
Number of Residues	6
Details	binding site for residue MG D 303

Chain	Residue
D	ADP301
D	N7E302
D	HOH401
D	HOH402
D	HOH403
D	HOH406

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	GLU70
B	GLU70
C	GLU70
D	GLU70

---

site_id	SWS_FT_FI2
Number of Residues	20
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	ASP6
B	SER225
C	ASP6
C	THR99
C	GLY121
C	TYR137
C	SER225
D	ASP6
D	THR99
D	GLY121
D	TYR137
A	THR99
D	SER225
A	GLY121
A	TYR137
A	SER225
B	ASP6
B	THR99
B	GLY121
B	TYR137

---