Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2BOY

Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005506	molecular_function	iron ion binding
A	0008199	molecular_function	ferric iron binding
A	0009056	biological_process	catabolic process
A	0009712	biological_process	catechol-containing compound metabolic process
A	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
A	0018576	molecular_function	catechol 1,2-dioxygenase activity
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
B	0003824	molecular_function	catalytic activity
B	0005506	molecular_function	iron ion binding
B	0008199	molecular_function	ferric iron binding
B	0009056	biological_process	catabolic process
B	0009712	biological_process	catechol-containing compound metabolic process
B	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
B	0018576	molecular_function	catechol 1,2-dioxygenase activity
B	0046872	molecular_function	metal ion binding
B	0051213	molecular_function	dioxygenase activity
C	0003824	molecular_function	catalytic activity
C	0005506	molecular_function	iron ion binding
C	0008199	molecular_function	ferric iron binding
C	0009056	biological_process	catabolic process
C	0009712	biological_process	catechol-containing compound metabolic process
C	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
C	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
C	0018576	molecular_function	catechol 1,2-dioxygenase activity
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
D	0003824	molecular_function	catalytic activity
D	0005506	molecular_function	iron ion binding
D	0008199	molecular_function	ferric iron binding
D	0009056	biological_process	catabolic process
D	0009712	biological_process	catechol-containing compound metabolic process
D	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
D	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
D	0018576	molecular_function	catechol 1,2-dioxygenase activity
D	0046872	molecular_function	metal ion binding
D	0051213	molecular_function	dioxygenase activity
E	0003824	molecular_function	catalytic activity
E	0005506	molecular_function	iron ion binding
E	0008199	molecular_function	ferric iron binding
E	0009056	biological_process	catabolic process
E	0009712	biological_process	catechol-containing compound metabolic process
E	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
E	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
E	0018576	molecular_function	catechol 1,2-dioxygenase activity
E	0046872	molecular_function	metal ion binding
E	0051213	molecular_function	dioxygenase activity
F	0003824	molecular_function	catalytic activity
F	0005506	molecular_function	iron ion binding
F	0008199	molecular_function	ferric iron binding
F	0009056	biological_process	catabolic process
F	0009712	biological_process	catechol-containing compound metabolic process
F	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
F	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
F	0018576	molecular_function	catechol 1,2-dioxygenase activity
F	0046872	molecular_function	metal ion binding
F	0051213	molecular_function	dioxygenase activity
G	0003824	molecular_function	catalytic activity
G	0005506	molecular_function	iron ion binding
G	0008199	molecular_function	ferric iron binding
G	0009056	biological_process	catabolic process
G	0009712	biological_process	catechol-containing compound metabolic process
G	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
G	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
G	0018576	molecular_function	catechol 1,2-dioxygenase activity
G	0046872	molecular_function	metal ion binding
G	0051213	molecular_function	dioxygenase activity
H	0003824	molecular_function	catalytic activity
H	0005506	molecular_function	iron ion binding
H	0008199	molecular_function	ferric iron binding
H	0009056	biological_process	catabolic process
H	0009712	biological_process	catechol-containing compound metabolic process
H	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
H	0018575	molecular_function	chlorocatechol 1,2-dioxygenase activity
H	0018576	molecular_function	catechol 1,2-dioxygenase activity
H	0046872	molecular_function	metal ion binding
H	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE A1255

Chain	Residue
A	TYR133
A	TYR167
A	HIS191
A	HIS193
A	BHO1256

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A1258

Chain	Residue
A	HOH2030
A	HOH2088
A	HOH2094
A	HOH2095

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A1259

Chain	Residue
A	HOH2028
A	HOH2029
A	HOH2033
A	HOH2087
A	HOH2090
A	HOH2093

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE B1255

Chain	Residue
B	TYR133
B	TYR167
B	HIS191
B	HIS193
B	BHO1256

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B1258

Chain	Residue
B	HOH2084
B	HOH2085
B	HOH2088
B	HOH2090

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B1259

Chain	Residue
B	HOH2026
B	HOH2027
B	HOH2030
B	HOH2083
B	HOH2089
B	HOH2198

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B1260

Chain	Residue
B	HOH2144
B	HOH2145
G	HOH2087

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE C1255

Chain	Residue
C	TYR133
C	TYR167
C	HIS191
C	HIS193
C	BHO1256

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C1258

Chain	Residue
C	HOH2023
C	HOH2024
C	HOH2059
C	HOH2166
C	HOH2168

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C1259

Chain	Residue
C	HOH2044
C	HOH2073
C	HOH2074
F	HOH2151
F	HOH2153
F	HOH2155

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C1260

Chain	Residue
A	HOH2171
C	HOH2057
C	HOH2060

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C1261

Chain	Residue
A	HOH2157
A	HOH2159
H	HOH2100
H	HOH2101

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE D1255

Chain	Residue
D	TYR133
D	TYR167
D	HIS191
D	HIS193
D	BHO1256

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D1258

Chain	Residue
D	HOH2023
D	HOH2024
D	HOH2027
D	HOH2076
D	HOH2083

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D1259

Chain	Residue
D	HOH2058
D	HOH2143
D	HOH2144
D	HOH2150
E	HOH2110
E	HOH2111

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE E1255

Chain	Residue
E	TYR133
E	TYR167
E	HIS191
E	HIS193
E	BHO1256

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG E1258

Chain	Residue
E	HOH2036
E	HOH2090

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE F1255

Chain	Residue
F	TYR133
F	TYR167
F	HIS191
F	HIS193
F	BHO1256
F	HOH2169

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG F1258

Chain	Residue
F	HOH2032
F	HOH2033
F	HOH2036
F	HOH2084
F	HOH2088

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE G1255

Chain	Residue
G	TYR133
G	TYR167
G	HIS191
G	HIS193
G	BHO1256

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG G1258

Chain	Residue
G	HOH2071
G	HOH2022
G	HOH2023
G	HOH2025
G	HOH2069

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE H1255

Chain	Residue
H	TYR133
H	TYR167
H	HIS191
H	HIS193
H	BHO1256

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG H1258

Chain	Residue
H	HOH2030
H	HOH2031
H	HOH2081
H	HOH2087
H	HOH2174

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG H1259

Chain	Residue
D	SER66
D	HOH2022
D	HOH2026
D	HOH2075
D	HOH2079
D	HOH2080
D	HOH2081

site_id	CC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BHO A1256

Chain	Residue
A	LEU49
A	VAL53
A	PRO77
A	TYR78
A	TYR133
A	TYR167
A	ILE169
A	ARG188
A	HIS191
A	HIS193
A	GLN207
A	FE1255
A	HOH2266

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LPP A1257

Chain	Residue
A	GLU30
A	ALA33
A	SER34
A	TRP37
E	LPP1257

site_id	CC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE BHO B1256

Chain	Residue
B	LEU49
B	VAL53
B	ILE74
B	GLY76
B	PRO77
B	TYR78
B	TYR133
B	TYR167
B	ILE169
B	ARG188
B	HIS191
B	HIS193
B	GLN207
B	FE1255
B	HOH2240

site_id	DC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE LPP B1257

Chain	Residue
B	ALA33
B	SER34
B	TRP37
B	LEU178
B	HOH2241
F	THR6
F	LEU51

site_id	DC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BHO C1256

Chain	Residue
C	LEU49
C	VAL53
C	ILE74
C	GLY76
C	PRO77
C	TYR78
C	TYR133
C	TYR167
C	ARG188
C	HIS191
C	HIS193
C	FE1255
C	HOH2203

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LPP C1257

Chain	Residue
C	GLU30
C	SER34
C	TRP37
G	THR6
G	LPP1257

site_id	DC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BHO D1256

Chain	Residue
D	LEU49
D	VAL53
D	GLY76
D	PRO77
D	TYR78
D	TYR133
D	TYR167
D	ARG188
D	HIS191
D	HIS193
D	GLN207
D	FE1255
D	HOH2241

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LPP D1257

Chain	Residue
D	GLU30
D	ALA33
D	SER34
D	TRP37
H	THR6
H	LPP1257

site_id	DC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE BHO E1256

Chain	Residue
E	LEU49
E	VAL53
E	ILE74
E	GLY76
E	PRO77
E	TYR78
E	TYR133
E	TYR167
E	ARG188
E	HIS191
E	HIS193
E	GLN207
E	FE1255
E	HOH2232

site_id	DC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE LPP E1257

Chain	Residue
A	ILE17
A	LPP1257
E	SER34
E	HOH2233

site_id	DC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BHO F1256

Chain	Residue
F	LEU49
F	VAL53
F	PRO77
F	TYR78
F	TYR133
F	TYR167
F	ILE169
F	ARG188
F	HIS191
F	HIS193
F	FE1255
F	HOH2169
F	HOH2229

site_id	DC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE LPP F1257

Chain	Residue
B	THR6
B	ILE17
F	SER34
F	TRP37
F	LEU178
F	HOH2230

site_id	EC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE BHO G1256

Chain	Residue
G	LEU49
G	VAL53
G	PRO77
G	TYR78
G	TYR133
G	TYR167
G	ILE169
G	ARG188
G	HIS191
G	HIS193
G	FE1255
G	HOH2180

site_id	EC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE LPP G1257

Chain	Residue
C	MET13
C	LEU51
C	LPP1257
G	SER34
G	TRP37

site_id	EC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE BHO H1256

Chain	Residue
H	LEU49
H	ASP52
H	VAL53
H	ILE74
H	GLY76
H	PRO77
H	TYR78
H	TYR133
H	TYR167
H	ILE169
H	ARG188
H	HIS191
H	HIS193
H	GLN207
H	FE1255
H	HOH2205

site_id	EC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE LPP H1257

Chain	Residue
D	THR6
D	MET13
D	ILE17
D	LPP1257
H	ILE17
H	ALA33
H	SER34
H	TRP37

Functional Information from PROSITE/UniProt

site_id	PS00083
Number of Residues	29
Details	INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. FrGeVvdqeGapLadvlLDMwqadaaGeY

Chain	Residue	Details
A	PHE105-TYR133

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
A	TYR167
A	ARG188

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
B	TYR167
B	ARG188

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
C	TYR167
C	ARG188

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
D	TYR167
D	ARG188

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
E	TYR167
E	ARG188

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
F	TYR167
F	ARG188

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
G	TYR167
G	ARG188

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 3pca

Chain	Residue	Details
H	TYR167
H	ARG188

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