Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4NB4

Pantothenamide-bound Pantothenate kinase from Staphylococcus aureus

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	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	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	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	0015937	biological_process	coenzyme A biosynthetic process
D	0016301	molecular_function	kinase activity
E	0004594	molecular_function	pantothenate kinase activity
E	0005524	molecular_function	ATP binding
E	0005737	cellular_component	cytoplasm
E	0015937	biological_process	coenzyme A biosynthetic process
E	0016301	molecular_function	kinase activity
F	0004594	molecular_function	pantothenate kinase activity
F	0005524	molecular_function	ATP binding
F	0005737	cellular_component	cytoplasm
F	0015937	biological_process	coenzyme A biosynthetic process
F	0016301	molecular_function	kinase activity
G	0004594	molecular_function	pantothenate kinase activity
G	0005524	molecular_function	ATP binding
G	0005737	cellular_component	cytoplasm
G	0015937	biological_process	coenzyme A biosynthetic process
G	0016301	molecular_function	kinase activity
H	0004594	molecular_function	pantothenate kinase activity
H	0005524	molecular_function	ATP binding
H	0005737	cellular_component	cytoplasm
H	0015937	biological_process	coenzyme A biosynthetic process
H	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	GLY122
A	GLN125
A	TYR137
A	GLY224
A	SER225
A	SER226
A	SH3302
A	MG304
A	HOH417
A	HOH430
A	GLY9
A	HOH431
A	THR10
A	LEU11
A	LYS13
A	LEU28
A	GLY98
A	THR99
A	GLY121

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SH3 A 302

Chain	Residue
A	GLY9
A	GLU70
A	PHE71
A	THR99
A	GLY100
A	THR101
A	SER102
A	ARG113
A	GLY116
A	ILE117
A	ADP301
A	MG304
A	HOH416
A	HOH417
A	HOH419
A	HOH420
B	LEU171
B	THR172
B	ALA173
B	GLU202
B	THR206
B	TYR240

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE SH3 A 303

Chain	Residue
A	LEU171
A	THR172
A	ALA173
A	GLU202
A	TYR240
A	HOH418
B	GLY9
B	GLU70
B	THR99
B	GLY100
B	THR101
B	SER102
B	ARG113
B	GLY116
B	ADP301
B	MG302
B	HOH422
B	HOH424
B	HOH425

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 304

Chain	Residue
A	ADP301
A	SH3302
A	HOH416
A	HOH417
A	HOH430
A	HOH452

site_id	AC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADP B 301

Chain	Residue
A	SH3303
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	MG302
B	HOH405
B	HOH423
B	HOH424
B	HOH479

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 302

Chain	Residue
A	SH3303
A	HOH418
B	ADP301
B	HOH422
B	HOH423
B	HOH424

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADP C 301

Chain	Residue
C	GLY98
C	THR99
C	GLY121
C	GLY122
C	GLN125
C	TYR137
C	GLY224
C	SER225
C	SER226
C	SH3302
C	MG304
C	HOH416
C	HOH426
C	HOH434
C	HOH435
C	GLY8
C	GLY9
C	THR10
C	LEU11
C	LYS13

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE SH3 C 302

Chain	Residue
C	GLY9
C	GLU70
C	THR99
C	GLY100
C	THR101
C	SER102
C	ARG113
C	GLY116
C	ILE117
C	ADP301
C	MG304
C	HOH404
C	HOH405
C	HOH416
C	HOH426
C	HOH454
D	VAL156
D	ILE159
D	LEU171
D	THR172
D	ALA173
D	GLU202
D	THR206
D	TYR240

site_id	AC9
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SH3 C 303

Chain	Residue
C	ILE159
C	THR172
C	ALA173
C	GLU202
C	THR206
C	TYR240
D	GLY9
D	GLU70
D	PHE71
D	THR99
D	GLY100
D	THR101
D	SER102
D	ARG113
D	GLY116
D	ILE117
D	ADP301
D	MG302
D	HOH410
D	HOH414
D	HOH418
D	HOH434

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 304

Chain	Residue
C	ADP301
C	SH3302
C	HOH404
C	HOH416
C	HOH426
C	HOH434

site_id	BC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP D 301

Chain	Residue
C	SH3303
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	MG302
D	HOH418
D	HOH419

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 302

Chain	Residue
C	SH3303
D	ADP301
D	HOH410
D	HOH418
D	HOH419

site_id	BC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADP E 301

Chain	Residue
E	GLY8
E	GLY9
E	THR10
E	LEU11
E	LYS13
E	GLY98
E	THR99
E	GLY121
E	GLY122
E	GLN125
E	TYR137
E	SER225
E	SER226
E	MG302
E	HOH403
E	HOH404
F	SH3302

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG E 302

Chain	Residue
E	ADP301
E	HOH404
E	HOH423
F	SH3302

site_id	BC6
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP F 301

Chain	Residue
F	GLY8
F	GLY9
F	THR10
F	LEU11
F	LYS13
F	GLY98
F	THR99
F	GLY121
F	GLY122
F	GLN125
F	TYR137
F	GLY224
F	SER225
F	SER226
F	HIS228
F	SH3303
F	MG304
F	HOH406
F	HOH425

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE SH3 F 302

Chain	Residue
E	GLY9
E	GLU70
E	THR99
E	GLY100
E	THR101
E	SER102
E	ARG113
E	GLY116
E	ADP301
E	MG302
E	HOH423
F	THR172
F	ALA173
F	GLU202
F	THR206
F	TYR240
F	HOH423
F	HOH426

site_id	BC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE SH3 F 303

Chain	Residue
E	THR172
E	ALA173
E	GLU202
E	THR206
E	TYR240
F	GLY9
F	GLU70
F	THR99
F	GLY100
F	THR101
F	SER102
F	ARG113
F	GLY116
F	ILE117
F	ADP301
F	MG304
F	HOH406
F	HOH413
F	HOH427

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG F 304

Chain	Residue
F	GLU70
F	ADP301
F	SH3303
F	HOH413

site_id	CC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADP G 301

Chain	Residue
G	GLY8
G	GLY9
G	THR10
G	LEU11
G	LYS13
G	GLY98
G	THR99
G	GLY121
G	GLY122
G	GLN125
G	TYR137
G	SER225
G	SER226
G	SH3302
G	MG303
G	HOH406
G	HOH425
G	HOH427

site_id	CC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SH3 G 302

Chain	Residue
G	GLY9
G	GLU70
G	THR99
G	GLY100
G	THR101
G	SER102
G	ARG113
G	GLY116
G	ILE117
G	ADP301
G	MG303
G	HOH403
G	HOH425
G	HOH428
G	HOH436
H	LEU171
H	THR172
H	ALA173
H	GLU202
H	THR206
H	TYR240
H	HOH446

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG G 303

Chain	Residue
G	ADP301
G	SH3302
G	HOH425
G	HOH426
G	HOH427
G	HOH436

site_id	CC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADP H 301

Chain	Residue
H	GLY8
H	GLY9
H	THR10
H	LEU11
H	LYS13
H	GLY98
H	THR99
H	GLY121
H	GLY122
H	GLN125
H	TYR137
H	GLY224
H	SER225
H	SER226
H	SH3302
H	MG303
H	HOH417
H	HOH421
H	HOH423

site_id	CC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE SH3 H 302

Chain	Residue
G	VAL156
G	ILE159
G	LEU171
G	THR172
G	ALA173
G	GLU202
G	THR206
G	TYR240
H	GLY9
H	GLU70
H	THR99
H	GLY100
H	THR101
H	SER102
H	ARG113
H	GLY116
H	ADP301
H	MG303
H	HOH408
H	HOH421
H	HOH422
H	HOH434

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG H 303

Chain	Residue
H	ADP301
H	SH3302
H	HOH421
H	HOH422
H	HOH423
H	HOH434

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	GLU70
B	GLU70
C	GLU70
D	GLU70
E	GLU70
F	GLU70
G	GLU70
H	GLU70

site_id	SWS_FT_FI2
Number of Residues	40
Details	BINDING:

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
E	ASP6
E	THR99
E	GLY121
E	TYR137
E	SER225
F	ASP6
F	THR99
F	GLY121
F	TYR137
A	GLY121
F	SER225
G	ASP6
G	THR99
G	GLY121
G	TYR137
G	SER225
H	ASP6
H	THR99
H	GLY121
H	TYR137
A	TYR137
H	SER225
A	SER225
B	ASP6
B	THR99
B	GLY121
B	TYR137

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)