5TDT

Oxygenated toluene intermediate in toluene 4-monooxygenase (T4moHD) after reaction in the crystal

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0006725	biological_process	obsolete cellular aromatic compound metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0018638	molecular_function	toluene 4-monooxygenase activity
A	0019439	biological_process	obsolete aromatic compound catabolic process
A	0042203	biological_process	toluene catabolic process
A	0046872	molecular_function	metal ion binding
B	0004497	molecular_function	monooxygenase activity
B	0006725	biological_process	obsolete cellular aromatic compound metabolic 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	0019439	biological_process	obsolete aromatic compound catabolic process
B	0042203	biological_process	toluene catabolic process
C	0004497	molecular_function	monooxygenase activity
C	0018638	molecular_function	toluene 4-monooxygenase activity
C	0019439	biological_process	obsolete aromatic compound catabolic process
C	0042203	biological_process	toluene catabolic process
D	0004497	molecular_function	monooxygenase activity
D	0006725	biological_process	obsolete cellular aromatic compound metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0018638	molecular_function	toluene 4-monooxygenase activity
D	0019439	biological_process	obsolete aromatic compound catabolic process
D	0042203	biological_process	toluene catabolic process
D	0046872	molecular_function	metal ion binding
E	0004497	molecular_function	monooxygenase activity
E	0006725	biological_process	obsolete cellular aromatic compound metabolic process
E	0019439	biological_process	obsolete aromatic compound catabolic process
E	0042203	biological_process	toluene catabolic process
F	0004497	molecular_function	monooxygenase activity
F	0006725	biological_process	obsolete cellular aromatic compound metabolic process
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	0019439	biological_process	obsolete aromatic compound catabolic process
F	0042203	biological_process	toluene catabolic process
G	0004497	molecular_function	monooxygenase activity
G	0018638	molecular_function	toluene 4-monooxygenase activity
G	0019439	biological_process	obsolete aromatic compound catabolic process
G	0042203	biological_process	toluene catabolic process
H	0004497	molecular_function	monooxygenase activity
H	0006725	biological_process	obsolete cellular aromatic compound metabolic process
H	0019439	biological_process	obsolete aromatic compound catabolic process
H	0042203	biological_process	toluene catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue MBN A 503

Chain	Residue
A	TYR331
A	GLY334
A	VAL335
A	TRP338
A	PRO403
C	PHE14
C	LEU15

---

site_id	AC2
Number of Residues	4
Details	binding site for residue MBN A 504

Chain	Residue
A	PRO403
A	MET471
A	TRP167
A	PRO394

---

site_id	AC3
Number of Residues	7
Details	binding site for residue FE A 505

Chain	Residue
A	GLU104
A	GLU134
A	HIS137
A	PER501
A	FE506
A	HOH632
A	HOH674

---

site_id	AC4
Number of Residues	7
Details	binding site for residue FE A 506

Chain	Residue
A	GLU134
A	GLU197
A	GLU231
A	HIS234
A	PER501
A	FE505
A	HOH632

---

site_id	AC5
Number of Residues	7
Details	binding site for residue MBN D 501

Chain	Residue
D	TRP167
D	TRP338
D	THR341
D	LEU393
D	PRO394
D	MET471
D	MBN502

---

site_id	AC6
Number of Residues	8
Details	binding site for residue MBN D 502

Chain	Residue
D	TYR331
D	GLY334
D	VAL335
D	TRP338
D	PRO394
D	PRO403
D	MBN501
G	PHE14

---

site_id	AC7
Number of Residues	7
Details	binding site for residue FE D 503

Chain	Residue
D	GLU104
D	GLU134
D	HIS137
D	FE504
D	HOH638
D	HOH794
D	HOH957

---

site_id	AC8
Number of Residues	7
Details	binding site for residue FE D 504

Chain	Residue
D	GLU134
D	GLU197
D	GLU231
D	HIS234
D	FE503
D	HOH638
D	HOH957

---

site_id	AC9
Number of Residues	12
Details	binding site for residues PER A 501 and MBN A 502

Chain	Residue
A	ILE100
A	GLY103
A	GLU104
A	ALA107
A	GLU134
A	PHE176
A	GLU197
A	GLU231
A	FE505
A	FE506
A	HOH632
A	HOH674

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
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
D	GLU197
D	GLU231
D	HIS234
A	GLU134
A	HIS137
A	GLU197
A	GLU231
A	HIS234
D	GLU104
D	GLU134
D	HIS137

---