Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4KF1

Crystal structure of SsoPox W263I in complex with C10HTL

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	6
Details	BINDING SITE FOR RESIDUE CO A 401

Chain	Residue
A	KCX137
A	HIS170
A	HIS199
A	FE2402
A	HT5403
A	HOH760

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 A 402

Chain	Residue
A	ASP256
A	CO401
A	HT5403
A	HOH760
A	HIS22
A	HIS24
A	KCX137

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HT5 A 403

Chain	Residue
A	HIS24
A	TYR97
A	KCX137
A	HIS170
A	HIS199
A	ARG223
A	ASP256
A	CYS258
A	ILE263
A	THR265
A	ALA266
A	TYR270
A	LYS271
A	CO401
A	FE2402
A	PG4404
A	HOH760

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 A 404

Chain	Residue
A	HT5403
A	HOH710
C	PHE104
C	LEU107
C	ASN108

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 405

Chain	Residue
A	PRO4
A	LEU5
A	LYS8
A	ASP9
A	SER10
A	LEU130
A	ASN131
A	LYS132

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 406

Chain	Residue
A	ASN172
A	ALA173
A	HIS174
A	ASP202
A	HOH560

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 407

Chain	Residue
A	ASP214
A	LYS215
A	HOH756
C	LYS292
C	ARG293
C	GLY295

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 408

Chain	Residue
A	GLY7
A	LYS8
A	LYS84
A	GLY87
C	THR186
C	GLU187
C	GLU188
C	GLY189

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 409

Chain	Residue
A	PHE18
A	LYS292
A	GLU298
A	GOL415
A	HOH627
B	GLN58

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 410

Chain	Residue
A	ASN160
A	LYS164
A	GLY189
A	VAL190
A	ASP191
A	HOH577

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 411

Chain	Residue
A	LEU102
A	PHE104
A	HOH626
A	HOH684
C	EDO407

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 412

Chain	Residue
A	ASP101
A	LEU102
A	PRO103
A	ASP148
A	HOH732

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 413

Chain	Residue
A	LYS62
A	GLY87
A	ASN89
A	HOH731

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 414

Chain	Residue
A	THR186
A	VAL190
A	PRO192
A	HOH752
D	MET1
D	SER10
D	HOH658

site_id	BC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 415

Chain	Residue
A	LYS292
A	EDO409
A	HOH595
B	ARG55
B	GLN58
B	PHE59
A	PHE59
A	PHE284
A	ILE288
A	PRO289

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 416

Chain	Residue
A	ARG55
A	GLN58
A	HOH747
B	PHE18
B	ILE288
B	GLU298

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO B 401

Chain	Residue
B	KCX137
B	HIS170
B	HIS199
B	ARG223
B	FE2402
B	HT5403
B	HOH786

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 B 402

Chain	Residue
B	HIS22
B	HIS24
B	KCX137
B	ASP256
B	CO401
B	HT5403
B	HOH786

site_id	CC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HT5 B 403

Chain	Residue
B	HIS24
B	TYR97
B	TYR99
B	KCX137
B	HIS170
B	ARG223
B	ASP256
B	CYS258
B	THR265
B	LYS271
B	ALA275
B	CO401
B	FE2402
B	HOH676
B	HOH744
B	HOH786

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PG4 B 404

Chain	Residue
B	TYR97
B	TYR99
D	LEU107
D	ASN108

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 405

Chain	Residue
B	ASN160
B	LYS164
B	GLY189
B	ASP191
B	LYS194
B	HOH602
B	HOH757

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO B 406

Chain	Residue
B	PRO4
B	LEU5
B	LYS8
B	ASP9
B	SER10
B	LEU130
B	ASN131
B	LYS132
B	HOH616

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 407

Chain	Residue
B	HIS120
B	GLU124
B	GLY125
B	GLN127
B	GLY128
B	THR129
B	HOH590
B	HOH619

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 408

Chain	Residue
B	ASN172
B	ALA173
B	HIS174
B	ASP202
B	PHE229
B	HOH544

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CO C 401

Chain	Residue
C	KCX137
C	HIS170
C	HIS199
C	FE2402
C	HT5403
C	HOH762

site_id	CC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 C 402

Chain	Residue
C	HIS22
C	HIS24
C	KCX137
C	ASP256
C	CO401
C	HT5403
C	HOH762

site_id	CC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HT5 C 403

Chain	Residue
C	HIS24
C	TYR97
C	KCX137
C	HIS170
C	ARG223
C	ASP256
C	CYS258
C	THR265
C	ALA266
C	LYS271
C	CO401
C	FE2402
C	PG4404
C	HOH717
C	HOH762

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 C 404

Chain	Residue
A	PHE104
A	LEU107
A	ASN108
C	TYR99
C	HT5403

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 405

Chain	Residue
C	ASN160
C	LYS164
C	GLY189
C	VAL190
C	ASP191
C	LYS194
C	HOH658

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 406

Chain	Residue
C	ASP233
C	ASN236
C	PHE290
C	HOH628

site_id	DC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO C 407

Chain	Residue
A	PHE104
A	EDO411
C	ILE98
C	TYR99
C	ILE100
C	ASP101
C	HOH537
C	HOH590

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 408

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

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 409

Chain	Residue
C	ASP214
C	GLY246
C	ASP249
C	LYS250

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 410

Chain	Residue
C	ASN172
C	ALA173
C	HIS174
C	ASP202
C	PHE229
C	HOH544

site_id	DC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CO D 401

Chain	Residue
D	KCX137
D	HIS170
D	HIS199
D	ARG223
D	FE2402
D	HT5403
D	HOH732

site_id	DC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 D 402

Chain	Residue
D	HIS22
D	HIS24
D	KCX137
D	ASP256
D	CO401
D	HT5403
D	HOH732

site_id	EC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HT5 D 403

Chain	Residue
D	HIS24
D	TYR97
D	TYR99
D	KCX137
D	HIS170
D	ARG223
D	ASP256
D	CYS258
D	ALA266
D	LYS271
D	ALA275
D	CO401
D	FE2402
D	PG4404
D	HOH558
D	HOH718
D	HOH719
D	HOH727
D	HOH732

site_id	EC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PG4 D 404

Chain	Residue
B	PHE104
B	LEU107
B	ASN108
D	TYR99
D	HT5403
D	HOH667

site_id	EC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 405

Chain	Residue
C	GLY295
C	ASN297
C	VAL300
D	GLU12
D	ASP15

site_id	EC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 406

Chain	Residue
D	ASN160
D	LYS164
D	GLY189
D	ASP191
D	LYS194

site_id	EC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 407

Chain	Residue
B	PHE104
D	ILE98
D	TYR99
D	ILE100
D	ASP101
D	HOH532
D	HOH589
D	HOH652

site_id	EC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 408

Chain	Residue
D	TYR247
D	ASP249
D	LYS250

site_id	EC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 409

Chain	Residue
D	ASN172
D	ALA173
D	HIS174
D	ASP202
D	PHE229
D	HOH591
D	HOH708

site_id	EC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 410

Chain	Residue
D	ARG33
D	PRO37
D	TYR40
D	HOH595

site_id	EC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL D 411

Chain	Residue
A	GLU187
D	LEU5
D	GLY7
D	LYS8
D	LEU130
D	ASN131
D	HOH514
D	HOH542
D	HOH705
D	HOH706
D	HOH729

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)