3DHG

Crystal Structure of Toluene 4-Monoxygenase Hydroxylase

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	0016491	molecular_function	oxidoreductase activity
E	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
E	0018638	molecular_function	toluene 4-monooxygenase activity
E	0042203	biological_process	toluene catabolic process
F	0004497	molecular_function	monooxygenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0018638	molecular_function	toluene 4-monooxygenase activity
F	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 501

Chain	Residue
A	GLU104
A	GLU134
A	HIS137
A	FE502
A	HOH504
A	HOH505
A	HOH506

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 502

Chain	Residue
A	GLU231
A	HIS234
A	FE501
A	HOH504
A	HOH505
A	GLU134
A	GLU197

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 502

Chain	Residue
B	GLU184
B	HOH382
B	HOH542
B	HOH947
E	HOH339
E	HOH1423

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA B 503

Chain	Residue
A	HOH559
B	HOH340
B	HOH353
B	HOH381
B	HOH388
B	HOH1149
E	HOH349

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 504

Chain	Residue
B	GLN108
B	HOH1445
B	HOH1447
D	ASP356
D	HOH725
D	HOH1446

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 505

Chain	Residue
B	LYS31
B	LEU32
B	HIS33
B	ALA145
B	SER146
B	HOH383

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 511

Chain	Residue
B	ASP179
B	HOH369
B	HOH845
E	ASP179
E	HOH759
E	HOH875

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 506

Chain	Residue
C	ALA68
C	HOH188
C	HOH1347
C	HOH1348
C	HOH1417
C	HOH1418

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 507

Chain	Residue
D	GLU134
D	GLU197
D	GLU231
D	HIS234
D	FE508
D	AZI510
D	HOH1349

---

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 508

Chain	Residue
D	GLU104
D	GLU134
D	HIS137
D	FE507
D	AZI510
D	HOH657
D	HOH1349

---

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE AZI D 510

Chain	Residue
D	GLU104
D	GLU134
D	GLU197
D	GLU231
D	FE507
D	FE508
D	HOH799
D	HOH1349

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA E 509

Chain	Residue
D	SER60
D	HOH610
D	HOH732
E	ASP88
E	HOH449
E	HOH505
E	HOH1449

---

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA E 512

Chain	Residue
E	LYS31
E	LEU32
E	HIS33
E	ASP70
E	ALA145
E	SER146
E	HOH409

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA F 513

Chain	Residue
F	ALA68
F	HOH692
F	HOH801
F	HOH928
F	HOH952
F	HOH1413
F	HOH1414

---

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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