Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MUE

Crystal Structure of Pantoate-beta-Alanine Ligase from Salmonella typhimurium

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0004592	molecular_function	pantoate-beta-alanine ligase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0009058	biological_process	biosynthetic process
A	0015940	biological_process	pantothenate biosynthetic process
A	0016874	molecular_function	ligase activity
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0004592	molecular_function	pantoate-beta-alanine ligase activity
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0009058	biological_process	biosynthetic process
B	0015940	biological_process	pantothenate biosynthetic process
B	0016874	molecular_function	ligase activity
C	0000166	molecular_function	nucleotide binding
C	0003824	molecular_function	catalytic activity
C	0004592	molecular_function	pantoate-beta-alanine ligase activity
C	0005524	molecular_function	ATP binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0009058	biological_process	biosynthetic process
C	0015940	biological_process	pantothenate biosynthetic process
C	0016874	molecular_function	ligase activity
D	0000166	molecular_function	nucleotide binding
D	0003824	molecular_function	catalytic activity
D	0004592	molecular_function	pantoate-beta-alanine ligase activity
D	0005524	molecular_function	ATP binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0009058	biological_process	biosynthetic process
D	0015940	biological_process	pantothenate biosynthetic process
D	0016874	molecular_function	ligase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 291

Chain	Residue
A	PRO28
A	GLN61
A	ILE133
A	GLN155
A	HOH354

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EOH A 292

Chain	Residue
A	HIS34

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 293

Chain	Residue
B	GLN142
A	GLN142
A	PRO143
A	ASP169

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 294

Chain	Residue
A	ARG160
A	ILE172

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 295

Chain	Residue
A	ASN206
A	GLU232
A	LYS236
B	GLU77
B	GLU80

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EOH A 296

Chain	Residue
A	ILE226
A	ILE245
A	GLU253

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 297

Chain	Residue
A	GLU5
A	ALA92
C	GLN271

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EOH A 298

Chain	Residue
A	MET30
A	GLN61
A	PHE62
A	ARG123
A	HIS126

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 291

Chain	Residue
A	LYS214
B	HIS34
B	ASP35
B	LEU68
B	LEU186
B	HOH356

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 292

Chain	Residue
B	PRO28
B	MET30
B	GLN61
B	ILE133
B	GLN155
B	HOH330

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL B 293

Chain	Residue
B	ASN32
B	ARG73
B	HOH328

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 294

Chain	Residue
A	LYS161
A	ASP165
B	TYR99
B	PRO100
B	HIS101
B	GLY102
B	GLY105
B	GLN106

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL B 295

Chain	Residue
B	SER115
B	GLY120
B	ARG123
B	PRO124
B	GLY125
B	HIS126
B	PHE127
B	ARG128
B	HOH340
B	HOH352
B	HOH373

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 296

Chain	Residue
B	GLN244
B	ILE245
B	ARG246
D	LYS22

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EOH B 297

Chain	Residue
B	ARG18
B	PRO143
B	ASP169

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 292

Chain	Residue
C	PRO28
C	GLN61
C	ILE133
C	GLN155
C	HOH318

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 293

Chain	Residue
C	MET30
C	GLN61
C	PHE62
C	ARG123
C	HIS126

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 294

Chain	Residue
C	GLU119
C	PHE127
C	ASP152
C	PHE153
C	GLN154
C	GLN155

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EOH C 295

Chain	Residue
C	HOH324

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 296

Chain	Residue
B	GLN19
C	ALA180
C	TYR205

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 291

Chain	Residue
C	ARG18
C	GLN142
C	PRO143
C	ASP169
D	ARG18
D	GLN142

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 285

Chain	Residue
D	ILE170
D	HOH297
C	GLN142
D	GLN142
D	PRO143
D	ASP169

site_id	CC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 292

Chain	Residue
C	LYS161
C	ASP165
D	HIS101
D	GLY102
D	GLY105
D	GLN106

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 293

Chain	Residue
D	GLN61
D	GLN155
D	HOH332

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00158","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	64
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00158","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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