3Q3M

Toluene 4 monooxygenase HD Complex with Inhibitor 4-Bromobenzoate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0018638	molecular_function	toluene 4-monooxygenase activity
A	0042203	biological_process	toluene catabolic process
A	0046872	molecular_function	metal ion binding
B	0004497	molecular_function	monooxygenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0016709	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
B	0018638	molecular_function	toluene 4-monooxygenase activity
B	0042203	biological_process	toluene catabolic process
C	0004497	molecular_function	monooxygenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0018638	molecular_function	toluene 4-monooxygenase activity
C	0042203	biological_process	toluene catabolic process
D	0004497	molecular_function	monooxygenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0018638	molecular_function	toluene 4-monooxygenase activity
D	0042203	biological_process	toluene catabolic process
D	0046872	molecular_function	metal ion binding
E	0004497	molecular_function	monooxygenase activity
E	0042203	biological_process	toluene catabolic process
F	0004497	molecular_function	monooxygenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0016709	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
F	0018638	molecular_function	toluene 4-monooxygenase activity
F	0042203	biological_process	toluene catabolic process
G	0004497	molecular_function	monooxygenase activity
G	0016491	molecular_function	oxidoreductase activity
G	0018638	molecular_function	toluene 4-monooxygenase activity
G	0042203	biological_process	toluene catabolic process
H	0004497	molecular_function	monooxygenase activity
H	0042203	biological_process	toluene catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 509

Chain	Residue
D	GLU104
D	GLU134
D	HIS137
D	FE510
D	Z82511
D	HOH521
D	HOH581

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 510

Chain	Residue
D	GLU231
D	HIS234
D	FE509
D	Z82511
D	HOH521
D	GLU134
D	GLU197

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 870

Chain	Residue
A	GLU104
A	GLU134
A	HIS137
A	FE509
A	Z82510
A	HOH2127
A	HOH2158

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 509

Chain	Residue
A	GLU134
A	GLU197
A	GLU231
A	HIS234
A	Z82510
A	FE870
A	HOH2158

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE Z82 E 104

Chain	Residue
A	ARG6
A	TYR51
A	LYS52
A	HOH2069
E	MET74
E	GLN75
E	ALA90
E	ASP91
E	GLU92
E	HOH560
E	HOH734
E	HOH767
E	HOH1628

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE Z82 B 328

Chain	Residue
B	MET18
B	ARG19
B	LYS20
B	LYS21
B	PRO22
B	HOH1915
H	GLN67

---

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE Z82 H 104

Chain	Residue
D	ARG6
D	TYR51
D	LYS52
D	HOH2014
H	MET74
H	GLN75
H	ALA90
H	ASP91
H	GLU92
H	HOH281
H	HOH714
H	HOH753
H	HOH770

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE Z82 A 510

Chain	Residue
A	ALA99
A	ILE100
A	GLU104
A	GLU134
A	TYR162
A	PHE176
A	LEU192
A	GLU197
A	GLU231
A	FE509
A	FE870
A	HOH2158

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE Z82 D 511

Chain	Residue
D	ALA99
D	ILE100
D	GLU104
D	GLU134
D	TYR162
D	PHE176
D	ILE180
D	LEU192
D	GLU197
D	GLU231
D	FE509
D	FE510
D	HOH521
D	HOH581

---

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE Z82 B 329

Chain	Residue
B	LYS7
B	LEU221
B	LYS266
B	VAL269
B	HIS279
B	ILE282
B	ILE286
B	HOH2003
B	HOH2058

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE Z82 F 328

Chain	Residue
F	HOH1350
F	HOH2054
F	HIS279
F	ILE282
F	ILE286

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19033467","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19290655","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19705873","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22264099","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25248368","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28346937","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3Q14","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3Q2A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3Q3M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3Q3N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3Q3O","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RI7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3RMK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P1B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P1C","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TDS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TDT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TDU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5TDV","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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