6AWG

Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan

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	22
Details	binding site for residue ATP A 1001

Chain	Residue
A	GLY8
A	GLY122
A	GLN125
A	TYR137
A	GLY224
A	SER225
A	SER226
A	HOH1103
A	HOH1117
A	HOH1119
A	HOH1164
A	GLY9
B	ILE159
B	C0G302
C	GLN21
A	THR10
A	LEU11
A	LYS13
A	GLY98
A	THR99
A	GLY100
A	GLY121

---

site_id	AC2
Number of Residues	15
Details	binding site for residue C0G A 1002

Chain	Residue
A	LEU171
A	THR172
A	ALA173
A	GLU202
A	THR206
A	TYR240
A	HOH1112
A	HOH1140
B	PHE71
B	GLY100
B	THR101
B	SER102
B	ARG113
B	GLY116
B	ILE117

---

site_id	AC3
Number of Residues	20
Details	binding site for residue ADP B 301

Chain	Residue
B	GLY8
B	GLY9
B	THR10
B	LEU11
B	LYS13
B	LEU28
B	GLY98
B	THR99
B	GLY121
B	GLY122
B	GLN125
B	TYR137
B	GLY224
B	SER225
B	SER226
B	HOH401
B	HOH410
B	HOH415
B	HOH463
B	HOH478

---

site_id	AC4
Number of Residues	14
Details	binding site for residue C0G B 302

Chain	Residue
A	PHE71
A	GLY100
A	THR101
A	SER102
A	ARG113
A	GLY116
A	ILE117
A	ATP1001
B	VAL156
B	THR172
B	ALA173
B	GLU202
B	THR206
B	TYR240

---

site_id	AC5
Number of Residues	22
Details	binding site for residue ATP C 301

Chain	Residue
A	GLN21
C	GLY8
C	GLY9
C	THR10
C	LEU11
C	LYS13
C	GLU70
C	GLY98
C	THR99
C	GLY100
C	GLY121
C	GLY122
C	GLN125
C	TYR137
C	GLY224
C	SER225
C	SER226
C	HOH418
C	HOH420
C	HOH428
C	HOH429
D	C0G302

---

site_id	AC6
Number of Residues	13
Details	binding site for residue C0G C 302

Chain	Residue
D	GLU70
D	PHE71
D	THR101
D	SER102
D	ARG113
D	GLY116
D	ILE117
C	LEU171
C	THR172
C	ALA173
C	GLU202
C	THR206
C	TYR240

---

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

Chain	Residue
D	GLY9
D	THR10
D	LEU11
D	LYS13
D	LEU28
D	GLY98
D	THR99
D	GLY121
D	GLY122
D	GLN125
D	TYR137
D	GLY224
D	SER225
D	SER226
D	HOH410
D	HOH419
D	HOH429

---

site_id	AC8
Number of Residues	15
Details	binding site for residue C0G D 302

Chain	Residue
C	PHE71
C	GLY100
C	THR101
C	SER102
C	ARG113
C	GLY116
C	ILE117
C	ATP301
D	VAL156
D	LEU171
D	THR172
D	ALA173
D	GLU202
D	THR206
D	TYR240

---

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

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