3GL0

Crystal structure of dicamba monooxygenase bound to 3,6 dichlorosalicylic acid (DCSA)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004497	molecular_function	monooxygenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051537	molecular_function	2 iron, 2 sulfur cluster binding
B	0003824	molecular_function	catalytic activity
B	0004497	molecular_function	monooxygenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0051536	molecular_function	iron-sulfur cluster binding
B	0051537	molecular_function	2 iron, 2 sulfur cluster binding
C	0003824	molecular_function	catalytic activity
C	0004497	molecular_function	monooxygenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051537	molecular_function	2 iron, 2 sulfur cluster binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES A 500

Chain	Residue
A	CYS49
A	HIS51
A	ARG52
A	CYS68
A	HIS71
A	GLY72
A	LEU73

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE A 501

Chain	Residue
A	ASP294
A	OXY700
A	HIS160
A	HIS165

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE HXX A 600

Chain	Residue
A	LEU202
A	ASN230
A	ILE232
A	GLY249
A	HIS251
A	SER267
A	LEU282
A	TRP285
A	HOH357
A	HOH365
A	HOH675

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE OXY A 700

Chain	Residue
A	HIS160
A	HIS165
A	LEU290
A	ASP294
A	FE501

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE EDO A 350

Chain	Residue
A	TRP9
A	TYR10
A	VAL11
A	VAL225
A	SER226
A	ALA227
A	ILE252
A	LEU253
A	THR254
A	HOH547
A	HOH551

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 351

Chain	Residue
A	GLU16
A	ARG130
A	GLY139
A	HOH377
A	HOH467
A	HOH548

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 352

Chain	Residue
A	ASP126
A	GLY128
A	CYS129
A	LEU229
A	ARG248
A	HOH432
A	HOH517
A	HOH873

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FES B 500

Chain	Residue
B	CYS49
B	HIS51
B	ARG52
B	ALA54
B	CYS68
B	HIS71
B	GLY72
B	LEU73

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE B 501

Chain	Residue
B	ASN154
B	HIS160
B	HIS165
B	ASP294
B	OXY600

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE OXY B 600

Chain	Residue
B	HIS160
B	HIS165
B	LEU290
B	ASP294
B	FE501

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HXX B 700

Chain	Residue
B	LEU202
B	ASN230
B	HIS251
B	SER267
B	LEU282
B	TRP285
B	HOH366
B	HOH371
B	HOH440

---

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO B 350

Chain	Residue
B	TRP9
B	TYR10
B	VAL11
B	VAL225
B	SER226
B	ALA227
B	ILE252
B	LEU253
B	THR254
B	EDO353

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 351

Chain	Residue
B	LEU14
B	GLU16
B	ARG130
B	THR137
B	GLY139
B	HOH431
B	HOH536

---

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EDO B 352

Chain	Residue
B	ARG179
B	ALA190
B	MET192
B	ASN218
B	ASP219
B	ILE220
B	MET156
B	ASP157
B	LEU158

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO B 353

Chain	Residue
B	ALA8
B	TRP9
B	PRO125
B	LYS224
B	VAL225
B	EDO350
B	HOH684

---

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES C 500

Chain	Residue
C	CYS49
C	HIS51
C	ARG52
C	CYS68
C	HIS71
C	GLY72
C	LEU73

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 350

Chain	Residue
C	THR26
C	GLU256
C	THR257

---

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO C 351

Chain	Residue
C	LEU14
C	GLU16
C	ARG130
C	VAL138
C	GLY139
C	HOH377
C	HOH702

---

site_id	CC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE EDO C 352

Chain	Residue
C	TRP9
C	TYR10
C	VAL11
C	LYS224
C	VAL225
C	SER226
C	ALA227
C	ILE252
C	LEU253
C	THR254
C	HOH381
C	HOH482

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	306
Details	Domain: {"description":"Rieske","evidences":[{"source":"PROSITE-ProRule","id":"PRU00628","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	19
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19616009","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19616011","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3GB4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GKE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GOB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GTE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GTS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19616009","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19616011","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3GB4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GKE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GOB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GTS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19616009","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19616011","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3GB4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GKE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GL2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3GTS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	Site: {"description":"Plays a role in the stabilization of the metal coordination","evidences":[{"source":"PubMed","id":"19616009","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
A	ASP157
A	HIS160

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
B	ASP157
B	HIS160

---

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
C	ASP157

---

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
A	HIS71

---

site_id	CSA5
Number of Residues	1
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
B	HIS71

---

site_id	CSA6
Number of Residues	1
Details	Annotated By Reference To The Literature 1ndo

Chain	Residue	Details
C	HIS71

---