Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3I7U

Crystal structure of AP4A hydrolase (aq_158) from Aquifex aeolicus VF5

Replaces: 2PBT

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004081	molecular_function	bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
A	0005524	molecular_function	ATP binding
A	0006167	biological_process	AMP biosynthetic process
A	0006754	biological_process	ATP biosynthetic process
A	0016787	molecular_function	hydrolase activity
B	0000166	molecular_function	nucleotide binding
B	0004081	molecular_function	bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
B	0005524	molecular_function	ATP binding
B	0006167	biological_process	AMP biosynthetic process
B	0006754	biological_process	ATP biosynthetic process
B	0016787	molecular_function	hydrolase activity
C	0000166	molecular_function	nucleotide binding
C	0004081	molecular_function	bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
C	0005524	molecular_function	ATP binding
C	0006167	biological_process	AMP biosynthetic process
C	0006754	biological_process	ATP biosynthetic process
C	0016787	molecular_function	hydrolase activity
D	0000166	molecular_function	nucleotide binding
D	0004081	molecular_function	bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
D	0005524	molecular_function	ATP binding
D	0006167	biological_process	AMP biosynthetic process
D	0006754	biological_process	ATP biosynthetic process
D	0016787	molecular_function	hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 141

Chain	Residue
A	SER6
A	LYS31
A	GLY32
A	LYS78

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 148

Chain	Residue
A	PHE5
A	HOH202
A	HOH552
C	HOH662

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 151

Chain	Residue
A	GLU74
A	ARG75
A	HOH560
A	MET1

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 168

Chain	Residue
A	MET1
A	ARG75

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 142

Chain	Residue
B	SER6
B	LYS31
B	LYS78
B	PEG172

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 145

Chain	Residue
B	LYS31
B	TYR67
B	LYS78
B	HOH540

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO B 163

Chain	Residue
B	ILE34
B	GLU35
B	PRO36
B	GLY37
B	GLU38
B	HOH333
D	LYS3
D	PHE5
D	CL147

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO B 166

Chain	Residue
B	ILE65
B	TYR115
B	GLY117
B	ASP118
B	HOH372
C	LYS72

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 170

Chain	Residue
A	LYS39
A	PRO40
B	SER95
B	TRP96

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 171

Chain	Residue
A	TYR61
A	ILE62
B	ASP100
B	ALA101
B	HOH531

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PEG B 172

Chain	Residue
B	LYS31
B	GLU47
B	GLU51
B	CL142
B	HOH232
B	HOH354
B	HOH521
B	HOH696

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 143

Chain	Residue
C	SER6
C	LYS31
C	LYS78

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL C 146

Chain	Residue
B	LEU71
C	LYS31
C	TYR67
C	LYS78

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS C 179

Chain	Residue
C	PRO92
C	ASP100
C	ALA101
C	LYS102
C	HOH355
C	HOH436
C	HOH626
D	TYR61
D	HOH298

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 144

Chain	Residue
D	SER6
D	LYS78
D	PEG173
D	HOH666

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 147

Chain	Residue
B	EDO163
D	GLU4
D	PHE5
D	HOH292

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 149

Chain	Residue
B	ARG75
B	HOH445
D	LYS55
D	HOH538

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 150

Chain	Residue
D	MET1
D	GLU74
D	ARG75

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 161

Chain	Residue
B	THR70
B	ARG75
D	GLU41
D	HOH361
D	HOH538
D	HOH675

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO D 162

Chain	Residue
D	ASN33
D	HOH659

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 164

Chain	Residue
D	TRP49
D	ARG75
D	PG4178
D	HOH559

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 165

Chain	Residue
D	GLU57
D	LYS86
D	LYS88
D	HOH356
C	SER24
C	LYS114

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 167

Chain	Residue
B	PRO36
B	HOH216
D	GLY37
D	GLU38

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 169

Chain	Residue
B	ILE34
C	GLU97
D	LYS3
D	PHE5
D	HOH270
D	HOH403

site_id	CC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PEG D 173

Chain	Residue
D	GLU4
D	ASN33
D	TYR69
D	LEU71
D	LYS78
D	GLU97
D	CL144
D	HOH364
D	HOH659

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEG D 174

Chain	Residue
D	GLY73
D	ARG75

site_id	CC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PEG D 175

Chain	Residue
C	LYS99
C	ASP100
D	TYR61
D	GLY63
D	GLU64
D	ILE121
D	LYS124
D	HOH325
D	HOH358
D	HOH715
D	HOH716

site_id	DC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE D 176

Chain	Residue
D	HIS66
D	TYR67
D	TRP68
D	TYR87
D	LYS88
D	GLU89
D	GLY90
D	GLU91
D	ARG93

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE D 177

Chain	Residue
D	THR22
D	SER28
D	LYS31
D	ILE65
D	TYR115
D	LYS116
D	GLY117
D	ASP118
D	HOH484

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 D 178

Chain	Residue
D	TYR69
D	THR70
D	ARG75
D	EDO164
D	HOH656

Functional Information from PROSITE/UniProt

site_id	PS00893
Number of Residues	22
Details	NUDIX_BOX Nudix box signature. GniepgEkpeeTAvREVwEEtG

Chain	Residue	Details
A	GLY32-GLY53

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