5AEW

Crystal structure of II9 variant of Biphenyl dioxygenase from Burkholderia xenovorans LB400 in complex with biphenyl

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005506	molecular_function	iron ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
A	0051536	molecular_function	iron-sulfur cluster binding
A	0051537	molecular_function	2 iron, 2 sulfur cluster binding
B	0016491	molecular_function	oxidoreductase activity
B	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
B	0019380	biological_process	3-phenylpropionate catabolic process
B	0051213	molecular_function	dioxygenase activity
C	0005506	molecular_function	iron ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051537	molecular_function	2 iron, 2 sulfur cluster binding
D	0016491	molecular_function	oxidoreductase activity
D	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
D	0019380	biological_process	3-phenylpropionate catabolic process
D	0051213	molecular_function	dioxygenase activity
E	0005506	molecular_function	iron ion binding
E	0016491	molecular_function	oxidoreductase activity
E	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
E	0046872	molecular_function	metal ion binding
E	0051213	molecular_function	dioxygenase activity
E	0051536	molecular_function	iron-sulfur cluster binding
E	0051537	molecular_function	2 iron, 2 sulfur cluster binding
F	0016491	molecular_function	oxidoreductase activity
F	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
F	0019380	biological_process	3-phenylpropionate catabolic process
F	0051213	molecular_function	dioxygenase activity
G	0005506	molecular_function	iron ion binding
G	0016491	molecular_function	oxidoreductase activity
G	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
G	0046872	molecular_function	metal ion binding
G	0051213	molecular_function	dioxygenase activity
G	0051536	molecular_function	iron-sulfur cluster binding
G	0051537	molecular_function	2 iron, 2 sulfur cluster binding
H	0016491	molecular_function	oxidoreductase activity
H	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
H	0019380	biological_process	3-phenylpropionate catabolic process
H	0051213	molecular_function	dioxygenase activity
I	0005506	molecular_function	iron ion binding
I	0016491	molecular_function	oxidoreductase activity
I	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
I	0046872	molecular_function	metal ion binding
I	0051213	molecular_function	dioxygenase activity
I	0051536	molecular_function	iron-sulfur cluster binding
I	0051537	molecular_function	2 iron, 2 sulfur cluster binding
J	0016491	molecular_function	oxidoreductase activity
J	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
J	0019380	biological_process	3-phenylpropionate catabolic process
J	0051213	molecular_function	dioxygenase activity
K	0005506	molecular_function	iron ion binding
K	0016491	molecular_function	oxidoreductase activity
K	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
K	0046872	molecular_function	metal ion binding
K	0051213	molecular_function	dioxygenase activity
K	0051536	molecular_function	iron-sulfur cluster binding
K	0051537	molecular_function	2 iron, 2 sulfur cluster binding
L	0016491	molecular_function	oxidoreductase activity
L	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
L	0019380	biological_process	3-phenylpropionate catabolic process
L	0051213	molecular_function	dioxygenase activity
M	0005506	molecular_function	iron ion binding
M	0016491	molecular_function	oxidoreductase activity
M	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
M	0046872	molecular_function	metal ion binding
M	0051213	molecular_function	dioxygenase activity
M	0051536	molecular_function	iron-sulfur cluster binding
M	0051537	molecular_function	2 iron, 2 sulfur cluster binding
N	0016491	molecular_function	oxidoreductase activity
N	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
N	0019380	biological_process	3-phenylpropionate catabolic process
N	0051213	molecular_function	dioxygenase activity
O	0005506	molecular_function	iron ion binding
O	0016491	molecular_function	oxidoreductase activity
O	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
O	0046872	molecular_function	metal ion binding
O	0051213	molecular_function	dioxygenase activity
O	0051536	molecular_function	iron-sulfur cluster binding
O	0051537	molecular_function	2 iron, 2 sulfur cluster binding
P	0016491	molecular_function	oxidoreductase activity
P	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
P	0019380	biological_process	3-phenylpropionate catabolic process
P	0051213	molecular_function	dioxygenase activity
Q	0005506	molecular_function	iron ion binding
Q	0016491	molecular_function	oxidoreductase activity
Q	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
Q	0046872	molecular_function	metal ion binding
Q	0051213	molecular_function	dioxygenase activity
Q	0051536	molecular_function	iron-sulfur cluster binding
Q	0051537	molecular_function	2 iron, 2 sulfur cluster binding
R	0016491	molecular_function	oxidoreductase activity
R	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
R	0019380	biological_process	3-phenylpropionate catabolic process
R	0051213	molecular_function	dioxygenase activity
S	0005506	molecular_function	iron ion binding
S	0016491	molecular_function	oxidoreductase activity
S	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
S	0046872	molecular_function	metal ion binding
S	0051213	molecular_function	dioxygenase activity
S	0051536	molecular_function	iron-sulfur cluster binding
S	0051537	molecular_function	2 iron, 2 sulfur cluster binding
T	0016491	molecular_function	oxidoreductase activity
T	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
T	0019380	biological_process	3-phenylpropionate catabolic process
T	0051213	molecular_function	dioxygenase activity
U	0005506	molecular_function	iron ion binding
U	0016491	molecular_function	oxidoreductase activity
U	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
U	0046872	molecular_function	metal ion binding
U	0051213	molecular_function	dioxygenase activity
U	0051536	molecular_function	iron-sulfur cluster binding
U	0051537	molecular_function	2 iron, 2 sulfur cluster binding
V	0016491	molecular_function	oxidoreductase activity
V	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
V	0019380	biological_process	3-phenylpropionate catabolic process
V	0051213	molecular_function	dioxygenase activity
W	0005506	molecular_function	iron ion binding
W	0016491	molecular_function	oxidoreductase activity
W	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
W	0046872	molecular_function	metal ion binding
W	0051213	molecular_function	dioxygenase activity
W	0051536	molecular_function	iron-sulfur cluster binding
W	0051537	molecular_function	2 iron, 2 sulfur cluster binding
X	0016491	molecular_function	oxidoreductase activity
X	0018687	molecular_function	biphenyl 2,3-dioxygenase activity
X	0019380	biological_process	3-phenylpropionate catabolic process
X	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES A 460

Chain	Residue
A	CYS100
A	HIS102
A	ARG103
A	CYS120
A	HIS123
A	TRP125

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 A 461

Chain	Residue
A	ASP388
A	HOH2228
A	HOH2232
A	HOH2236
A	GLN226
A	HIS233
A	HIS239

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES C 460

Chain	Residue
C	CYS100
C	HIS102
C	ARG103
C	CYS120
C	HIS123
C	TRP125

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 C 461

Chain	Residue
C	GLN226
C	HIS233
C	HIS239
C	ASP388
C	HOH2244

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BNL C 462

Chain	Residue
C	GLN226
C	ASP230
C	MET231
C	HIS233
C	HIS323
C	LEU333
C	HOH2244

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES E 460

Chain	Residue
E	CYS100
E	HIS102
E	ARG103
E	CYS120
E	HIS123
E	TRP125

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 E 461

Chain	Residue
E	GLN226
E	HIS233
E	HIS239
E	ASP388
E	HOH2167

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BNL E 462

Chain	Residue
E	GLN226
E	ASP230
E	MET231
E	HIS233
E	HIS323
E	LEU333
E	HOH2167

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES G 460

Chain	Residue
G	CYS100
G	HIS102
G	ARG103
G	CYS120
G	HIS123
G	TRP125

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 G 461

Chain	Residue
G	GLN226
G	HIS233
G	HIS239
G	ASP388
G	HOH2125
G	HOH2131

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES I 460

Chain	Residue
I	CYS100
I	HIS102
I	ARG103
I	MET105
I	CYS120
I	HIS123
I	TRP125

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 I 461

Chain	Residue
I	GLN226
I	HIS233
I	HIS239
I	ASP388
I	HOH2142

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BNL I 462

Chain	Residue
I	GLN226
I	ASP230
I	HIS233
I	HIS323
I	LEU333

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES K 460

Chain	Residue
K	CYS100
K	HIS102
K	ARG103
K	MET105
K	CYS120
K	HIS123
K	TRP125

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 K 461

Chain	Residue
K	GLN226
K	HIS233
K	HIS239
K	ASP388
K	HOH2159
K	HOH2161

---

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BNL K 462

Chain	Residue
K	GLN226
K	ASP230
K	HIS233
K	HIS323
K	LEU333
K	PHE384

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES M 460

Chain	Residue
M	ARG103
M	CYS120
M	HIS123
M	TRP125
M	CYS100
M	HIS102

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 M 461

Chain	Residue
M	GLN226
M	HIS233
M	HIS239
M	ASP388
M	HOH2132
M	HOH2136

---

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BNL M 462

Chain	Residue
M	GLN226
M	ASP230
M	HIS233
M	HIS323
M	LEU333
M	PHE378
M	PHE384

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FES O 460

Chain	Residue
O	CYS100
O	HIS102
O	ARG103
O	CYS120
O	HIS123
O	TRP125

---

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 O 461

Chain	Residue
O	GLN226
O	HIS233
O	HIS239
O	ASP388
O	HOH2135

---

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BNL O 462

Chain	Residue
O	GLN226
O	ASP230
O	HIS233
O	HIS323
O	LEU333
O	PHE384

---

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FES Q 460

Chain	Residue
Q	CYS100
Q	HIS102
Q	CYS120
Q	HIS123
Q	TRP125

---

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 Q 461

Chain	Residue
Q	GLN226
Q	HIS233
Q	HIS239
Q	ASP388
Q	HOH2106

---

site_id	CC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BNL Q 462

Chain	Residue
Q	GLN226
Q	ASP230
Q	HIS233
Q	GLY321
Q	HIS323
Q	LEU333
Q	HOH2106

---

site_id	CC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE FES S 460

Chain	Residue
S	CYS100
S	HIS102
S	ARG103
S	CYS120
S	TYR122
S	HIS123
S	TRP125
S	HOH2021

---

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 S 461

Chain	Residue
S	GLN226
S	HIS233
S	HIS239
S	ASP388
S	HOH2052

---

site_id	DC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BNL S 462

Chain	Residue
S	GLN226
S	ASP230
S	MET231
S	HIS233
S	HIS323
S	LEU333
S	PHE384
S	HOH2052

---

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES U 460

Chain	Residue
U	CYS100
U	HIS102
U	ARG103
U	CYS120
U	TYR122
U	HIS123
U	TRP125

---

site_id	DC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 U 461

Chain	Residue
U	GLN226
U	HIS233
U	HIS239
U	ASP388
U	HOH2100

---

site_id	DC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FES W 460

Chain	Residue
W	CYS100
W	HIS102
W	ARG103
W	CYS120
W	TYR122
W	HIS123
W	TRP125

---

site_id	DC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 W 461

Chain	Residue
W	GLN226
W	HIS233
W	HIS239
W	ASP388
W	HOH2043

---

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BNL W 462

Chain	Residue
W	GLN226
W	ASP230
W	HIS233
W	HIS323
W	LEU333

---

Functional Information from PROSITE/UniProt

site_id	PS00570
Number of Residues	24
Details	RING_HYDROXYL_ALPHA Bacterial ring hydroxylating dioxygenases alpha-subunit signature. CrHRGmricrsdaGNakaftCsYH

Chain	Residue	Details
A	CYS100-HIS123

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00628","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---