3Q2A

Toluene 4 monooxygenase HD complex with inhibitor p-aminobenzoate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0009056	biological_process	catabolic process
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	0009056	biological_process	catabolic process
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	0009056	biological_process	catabolic process
C	0018638	molecular_function	toluene 4-monooxygenase activity
C	0042203	biological_process	toluene catabolic process
E	0004497	molecular_function	monooxygenase activity
E	0009056	biological_process	catabolic process
E	0042203	biological_process	toluene catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 517

Chain	Residue
A	GLU104
A	GLU134
A	HIS137
A	FE518
A	PAB521
A	HOH587
A	HOH589

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 518

Chain	Residue
A	GLU231
A	HIS234
A	FE517
A	PAB521
A	HOH589
A	GLU134
A	GLU197

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE ETE B 329

Chain	Residue
B	GLN100
B	ARG104
B	HIS106
B	MET109
B	GLN237
B	PRO248
B	LEU249
B	ASP252
B	HOH682

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PAB A 519

Chain	Residue
A	TRP338
A	GLU391
A	THR392
A	LEU393
A	MET462
A	THR463
A	LEU464
A	ALA467
A	PAB520

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PAB A 520

Chain	Residue
A	TRP167
A	TRP338
A	THR341
A	VAL396
A	GLN401
A	PRO403
A	MET471
A	PAB519
A	HOH674

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PAB A 521

Chain	Residue
A	GLU104
A	GLU134
A	PHE176
A	LEU192
A	GLU197
A	GLU231
A	FE517
A	FE518
A	HOH589

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PAB A 522

Chain	Residue
A	HIS447
A	MET448
A	ARG453
A	GLN458
A	HOH825
B	SER41
B	TRP43
B	GLU44
B	LEU45

---

site_id	AC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE P6G A 523

Chain	Residue
A	SER60
A	ARG63
A	ARG63
A	HOH633
A	HOH633
A	HOH742
B	LEU85
B	LEU85
B	ASP88
B	ASP88
B	SER92
B	SER92
E	HOH687

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:19033467, ECO:0000269|PubMed:19290655, ECO:0000269|PubMed:19705873, ECO:0000269|PubMed:22264099, ECO:0000269|PubMed:25248368, ECO:0000269|PubMed:28346937, ECO:0007744|PDB:3Q14, ECO:0007744|PDB:3Q2A, ECO:0007744|PDB:3Q3M, ECO:0007744|PDB:3Q3N, ECO:0007744|PDB:3Q3O, ECO:0007744|PDB:3RI7, ECO:0007744|PDB:3RMK, ECO:0007744|PDB:4P1B, ECO:0007744|PDB:4P1C, ECO:0007744|PDB:5TDS, ECO:0007744|PDB:5TDT, ECO:0007744|PDB:5TDU, ECO:0007744|PDB:5TDV

Chain	Residue	Details
A	GLU104
A	GLU134
A	HIS137
A	GLU197
A	GLU231
A	HIS234

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