Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2VC7

Structural basis for natural lactonase and promiscuous phosphotriesterase activities

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004063	molecular_function	aryldialkylphosphatase activity
A	0008270	molecular_function	zinc ion binding
A	0009056	biological_process	catabolic process
A	0016787	molecular_function	hydrolase activity
A	0016788	molecular_function	hydrolase activity, acting on ester bonds
A	0046872	molecular_function	metal ion binding
B	0004063	molecular_function	aryldialkylphosphatase activity
B	0008270	molecular_function	zinc ion binding
B	0009056	biological_process	catabolic process
B	0016787	molecular_function	hydrolase activity
B	0016788	molecular_function	hydrolase activity, acting on ester bonds
B	0046872	molecular_function	metal ion binding
C	0004063	molecular_function	aryldialkylphosphatase activity
C	0008270	molecular_function	zinc ion binding
C	0009056	biological_process	catabolic process
C	0016787	molecular_function	hydrolase activity
C	0016788	molecular_function	hydrolase activity, acting on ester bonds
C	0046872	molecular_function	metal ion binding
D	0004063	molecular_function	aryldialkylphosphatase activity
D	0008270	molecular_function	zinc ion binding
D	0009056	biological_process	catabolic process
D	0016787	molecular_function	hydrolase activity
D	0016788	molecular_function	hydrolase activity, acting on ester bonds
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A1315

Chain	Residue
A	HIS22
A	HIS24
A	KCX137
A	ASP256
A	CO1316
A	HT51335
A	HOH2200

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CO A1316

Chain	Residue
A	HIS199
A	FE21315
A	HT51335
A	HOH2200
A	KCX137
A	HIS170

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE B1315

Chain	Residue
B	HIS22
B	HIS24
B	KCX137
B	ASP256
B	CO1316
B	HT51328
B	HOH2161

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO B1316

Chain	Residue
B	KCX137
B	HIS170
B	HIS199
B	ARG223
B	FE21315
B	HT51328
B	HOH2161

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE C1315

Chain	Residue
C	HIS22
C	HIS24
C	KCX137
C	ASP256
C	CO1316
C	HT51329
C	HOH2189

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CO C1316

Chain	Residue
C	KCX137
C	HIS170
C	HIS199
C	FE21315
C	HT51329
C	HOH2189

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D1315

Chain	Residue
D	HIS22
D	HIS24
D	KCX137
D	ASP256
D	CO1316
D	HT51329
D	HOH2166

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO D1316

Chain	Residue
D	KCX137
D	HIS170
D	HIS199
D	ARG223
D	FE21315
D	HT51329
D	HOH2166

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A1317

Chain	Residue
A	PRO4
A	LEU5
A	LYS8
A	ASP9
A	SER10
A	ASN131
A	LYS132
A	HOH2201

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B1317

Chain	Residue
B	ASN160
B	LYS164
B	GLY189
B	ASP191
B	LYS194

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A1318

Chain	Residue
A	GLY201
A	THR203
A	LEU221
A	LEU230
A	ARG235
A	THR238
A	THR239
A	HOH2202

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A1319

Chain	Residue
A	ASP141
A	SER171
A	ASN172
A	ALA173
A	HIS199
A	ASP202
A	ARG223
A	PHE229

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A1320

Chain	Residue
A	LYS215
A	HOH2203
B	LYS292
B	GLY295

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1321

Chain	Residue
A	LYS8
A	LYS84
A	GLY87
A	HOH2204
B	GLU187
B	GLY189

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A1322

Chain	Residue
A	GLU298
A	GOL1324

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B1318

Chain	Residue
A	HOH2171
B	ASP233
B	ASN236
B	PHE290

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C1317

Chain	Residue
C	ASN160
C	LYS164
C	GLY189
C	VAL190
C	ASP191
C	LYS194
C	HOH2117
C	HOH2191
C	HOH2192

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D1317

Chain	Residue
D	ASN160
D	LYS164
D	GLY189
D	VAL190
D	ASP191

site_id	CC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO C1318

Chain	Residue
C	PRO4
C	LEU5
C	LYS8
C	ASP9
C	SER10
C	LEU130
C	ASN131
C	LYS132
C	EDO1326

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1323

Chain	Residue
A	ASN160
A	LYS164
A	GLY189
A	ASP191
A	LYS194
A	EDO1331

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1324

Chain	Residue
A	PHE59
A	PHE284
A	EDO1322
A	HOH2206
C	GLN58
C	PHE59

site_id	CC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A1325

Chain	Residue
A	ILE98
A	TYR99
A	ILE100
A	ASP101
A	HOH2207
A	HOH2208
A	HOH2210
B	ASP101
B	LEU102
B	PHE104

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO D1318

Chain	Residue
D	PRO4
D	LEU5
D	LYS8
D	ASP9
D	SER10
D	ASN131
D	LYS132
D	EDO1328

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A1326

Chain	Residue
A	ALA173
A	HIS174
A	ASN175
A	ASN176
A	ASN205
A	TYR208
A	HOH2147

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B1319

Chain	Residue
A	ASP101
A	PHE104
A	GOL1328
A	HOH2093
B	ILE98
B	TYR99
B	ILE100
B	ASP101

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A1327

Chain	Residue
A	LYS8
A	ASP9
A	ILE11
A	ASN89

site_id	CC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A1328

Chain	Residue
A	ASP101
A	LEU102
A	PRO103
A	PHE104
A	HOH2091
A	HOH2211
B	EDO1319
B	HOH2065

site_id	DC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C1319

Chain	Residue
C	LEU5
C	LYS8
C	ASP9
C	ILE11
C	ASP15
C	LYS62
C	ASN89
C	HOH2193
C	HOH2194

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A1329

Chain	Residue
A	ASP101
A	LEU102
A	ASP148
A	HOH2213

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A1330

Chain	Residue
A	LYS62
A	GLY87
A	ASN89

site_id	DC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B1320

Chain	Residue
B	PHE18
B	GLU298

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C1320

Chain	Residue
A	LYS271
A	ARG277
A	HOH2183
C	PRO289
C	ARG293
C	HOH2195

site_id	DC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B1321

Chain	Residue
B	PRO4
B	LEU5
B	LYS8
B	SER10
B	LEU130
B	ASN131
B	LYS132

site_id	DC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C1321

Chain	Residue
C	HIS120
C	GLY128
C	THR129
C	HOH2197
D	LYS164

site_id	DC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B1322

Chain	Residue
B	ASP214
B	GLY246
B	TYR247
B	ASP249
B	LYS250

site_id	DC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B1323

Chain	Residue
B	GLY295
B	ASN297
D	LYS14
D	ASP15

site_id	EC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B1324

Chain	Residue
B	ASP112
B	ASP116
B	ILE119

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A1331

Chain	Residue
A	VAL190
A	GOL1323
D	MET1
D	ASP9

site_id	EC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C1322

Chain	Residue
C	HIS38
C	HOH2199
C	HOH2200
D	HIS120

site_id	EC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C1323

Chain	Residue
C	LYS62
C	GLY87
C	ASN89

site_id	EC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D1319

Chain	Residue
D	ASP214
D	GLY246
D	ASP249
D	LYS250

site_id	EC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D1320

Chain	Residue
D	PHE59
D	LYS292
D	GLU298
D	HOH2167

site_id	EC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A1332

Chain	Residue
A	ARG55
A	GLN58
A	HOH2215
C	PHE18
C	ILE288
C	GLU298

site_id	EC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B1325

Chain	Residue
B	GLY295
B	ASN297
D	MET1
D	ILE11
D	GLU12
D	ASP15

site_id	EC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A1333

Chain	Residue
A	TYR99
A	HIS170
A	ARG223
A	TRP263
A	HT51335
A	HOH2216
A	HOH2217

site_id	FC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A1334

Chain	Residue
A	MET1
A	ARG2
C	GLU162
C	LYS164

site_id	FC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B1326

Chain	Residue
B	LYS244
C	MET1
D	LYS14

site_id	FC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D1321

Chain	Residue
C	ASP101
C	LEU102
C	PHE104
D	ILE98
D	TYR99
D	ILE100
D	ASP101
D	HOH2169
D	HOH2171

site_id	FC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C1324

Chain	Residue
C	GLU80
C	LYS81
C	LYS84
C	HOH2201

site_id	FC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D1322

Chain	Residue
D	ASN172
D	ALA173
D	HIS174
D	ASP202
D	PHE229
D	HOH2172

site_id	FC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C1325

Chain	Residue
C	TYR99
C	ASP141
C	GLU142
C	HIS170
C	ARG223
C	PHE229
C	HT51329

site_id	FC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C1326

Chain	Residue
C	MET1
C	ARG2
C	EDO1318

site_id	FC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B1327

Chain	Residue
B	ASN172
B	ALA173
B	HIS174
B	ASP202
B	ARG223
B	PHE229
B	HOH2089
B	HOH2162

site_id	FC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D1323

Chain	Residue
D	TYR99
D	TRP263
D	HOH2173

site_id	GC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D1324

Chain	Residue
C	GLN34
D	ARG26
D	PHE28
D	ARG33
D	GLU42
D	ASP75
D	EDO1325

site_id	GC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D1325

Chain	Residue
D	ARG33
D	PRO37
D	GOL1324

site_id	GC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C1327

Chain	Residue
C	LYS311
C	HOH2204
D	GLU237
D	ASN294

site_id	GC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D1326

Chain	Residue
D	ASN48
D	ASN51
D	GLU52
D	HOH2175

site_id	GC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO C1328

Chain	Residue
C	SER171
C	ASN172
C	ALA173
C	ASP202
C	HOH2121

site_id	GC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D1327

Chain	Residue
D	GLU42
D	ASP43
D	LYS81
D	HOH2176

site_id	GC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D1328

Chain	Residue
D	LYS8
D	ASN131
D	EDO1318

site_id	GC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HT5 C1329

Chain	Residue
C	LEU72
C	TYR97
C	KCX137
C	HIS170
C	ARG223
C	ILE261
C	TRP263
C	THR265
C	ALA266
C	LYS271
C	FE21315
C	CO1316
C	GOL1325
C	HOH2189

site_id	GC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HT5 A1335

Chain	Residue
A	HIS24
A	TYR97
A	KCX137
A	HIS170
A	ARG223
A	LEU226
A	PHE229
A	ASP256
A	TRP263
A	ALA266
A	TRP278
A	FE21315
A	CO1316
A	GOL1333
A	HOH2200

site_id	HC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HT5 B1328

Chain	Residue
B	HIS24
B	TYR97
B	KCX137
B	HIS170
B	ARG223
B	LEU226
B	LEU228
B	PHE229
B	CYS258
B	ILE261
B	TRP263
B	THR265
B	LYS271
B	FE21315
B	CO1316
B	HOH2161

site_id	HC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HT5 D1329

Chain	Residue
D	VAL27
D	LEU72
D	TYR97
D	KCX137
D	HIS170
D	ARG223
D	LEU226
D	PHE229
D	ASP256
D	CYS258
D	ILE261
D	THR265
D	ALA266
D	FE21315
D	CO1316
D	HOH2166

Functional Information from PROSITE/UniProt

site_id	PS01322
Number of Residues	9
Details	PHOSPHOTRIESTERASE_1 Phosphotriesterase family signature 1. GfTLiHEHL

Chain	Residue	Details
A	GLY17-LEU25

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18486146","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2VC5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UF9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KER","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KES","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KET","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KF1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"description":"via carbamate group","evidences":[{"source":"PubMed","id":"18486146","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2VC5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UF9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KER","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KES","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KET","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KF1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"PROSITE-ProRule","id":"PRU00679","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18486146","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2VC5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2VC7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UF9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KER","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KES","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KET","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KF1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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