6AWH

Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-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	28
Details	binding site for residue ATP A 301

Chain	Residue
A	GLY8
A	GLY122
A	GLN125
A	TYR137
A	GLY224
A	SER225
A	SER226
A	MG302
A	HOH419
A	HOH421
A	HOH424
A	GLY9
A	HOH437
A	HOH448
A	HOH463
A	HOH468
A	HOH471
A	HOH486
B	ILE159
B	N7G303
C	GLN21
A	THR10
A	LEU11
A	LYS13
A	GLY98
A	THR99
A	GLY100
A	GLY121

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 302

Chain	Residue
A	ATP301
A	HOH419
A	HOH421
A	HOH437
A	HOH448

---

site_id	AC3
Number of Residues	27
Details	binding site for residue ATP B 301

Chain	Residue
A	ILE159
B	GLY8
B	GLY9
B	THR10
B	LEU11
B	LYS13
B	LEU28
B	GLY98
B	THR99
B	GLY100
B	GLY121
B	GLY122
B	GLN125
B	TYR137
B	GLY224
B	SER225
B	SER226
B	N7G302
B	MG304
B	HOH414
B	HOH429
B	HOH432
B	HOH438
B	HOH451
B	HOH472
B	HOH492
B	HOH519

---

site_id	AC4
Number of Residues	15
Details	binding site for residue N7G B 302

Chain	Residue
A	ASP170
A	LEU171
A	THR172
A	ALA173
A	GLU202
A	TYR240
B	GLU70
B	GLY100
B	THR101
B	SER102
B	ARG113
B	GLY116
B	ILE117
B	ATP301
B	HOH416

---

site_id	AC5
Number of Residues	14
Details	binding site for residue N7G B 303

Chain	Residue
A	GLU70
A	GLY100
A	THR101
A	SER102
A	ARG113
A	GLY116
A	ILE117
A	ATP301
B	LEU171
B	THR172
B	ALA173
B	GLU202
B	TYR240
B	HOH449

---

site_id	AC6
Number of Residues	5
Details	binding site for residue MG B 304

Chain	Residue
B	ATP301
B	HOH414
B	HOH429
B	HOH432
B	HOH492

---

site_id	AC7
Number of Residues	28
Details	binding site for residue ATP C 301

Chain	Residue
C	LYS13
C	GLY98
C	THR99
C	GLY100
C	GLY121
C	GLY122
C	GLN125
C	TYR137
C	GLY224
C	SER225
C	SER226
C	MG302
C	HOH425
C	HOH437
C	HOH445
C	HOH448
C	HOH463
C	HOH477
C	HOH478
C	HOH509
C	HOH523
D	ILE159
D	N7G302
A	GLN21
C	GLY8
C	GLY9
C	THR10
C	LEU11

---

site_id	AC8
Number of Residues	5
Details	binding site for residue MG C 302

Chain	Residue
C	ATP301
C	HOH437
C	HOH445
C	HOH463
C	HOH478

---

site_id	AC9
Number of Residues	26
Details	binding site for residue ATP D 301

Chain	Residue
C	ILE159
D	GLY8
D	GLY9
D	THR10
D	LEU11
D	LYS13
D	GLY98
D	THR99
D	GLY100
D	GLY121
D	GLY122
D	GLN125
D	TYR137
D	GLY224
D	SER225
D	SER226
D	N7G303
D	MG304
D	HOH411
D	HOH424
D	HOH429
D	HOH452
D	HOH453
D	HOH480
D	HOH503
D	HOH508

---

site_id	AD1
Number of Residues	15
Details	binding site for residue N7G D 302

Chain	Residue
C	GLU70
C	PHE71
C	GLY100
C	THR101
C	SER102
C	ARG113
C	GLY116
C	ILE117
C	ATP301
D	LEU171
D	THR172
D	ALA173
D	GLU202
D	TYR240
D	HOH407

---

site_id	AD2
Number of Residues	15
Details	binding site for residue N7G D 303

Chain	Residue
C	ASP170
C	LEU171
C	THR172
C	ALA173
C	GLU202
C	TYR240
C	HOH468
D	PHE71
D	GLY100
D	THR101
D	SER102
D	ARG113
D	GLY116
D	ILE117
D	ATP301

---

site_id	AD3
Number of Residues	5
Details	binding site for residue MG D 304

Chain	Residue
D	ATP301
D	HOH411
D	HOH424
D	HOH441
D	HOH452

---

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

---