Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4P1B

CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S E16C C84A C85A VARIANT ELECTRON-TRANSFER COMPLEX

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
H	0042203	biological_process	toluene catabolic process
H	0046872	molecular_function	metal ion binding
H	0051536	molecular_function	iron-sulfur cluster binding
H	0051537	molecular_function	2 iron, 2 sulfur cluster binding
I	0042203	biological_process	toluene catabolic process
I	0046872	molecular_function	metal ion binding
I	0051536	molecular_function	iron-sulfur cluster binding
I	0051537	molecular_function	2 iron, 2 sulfur cluster binding

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	GLU231
A	FE502
A	ACT504
A	HOH967

site_id	AC2
Number of Residues	7
Details	binding site for residue FE A 502

Chain	Residue
A	GLU231
A	HIS234
A	FE501
A	ACT504
A	HOH967
A	GLU134
A	GLU197

site_id	AC3
Number of Residues	5
Details	binding site for residue ACT A 503

Chain	Residue
A	ARG339
A	LYS481
A	ASP482
A	PHE486
A	HOH818

site_id	AC4
Number of Residues	9
Details	binding site for residue ACT A 504

Chain	Residue
A	GLU104
A	HIS137
A	GLU197
A	PHE205
A	GLN228
A	GLU231
A	FE501
A	FE502
A	HOH967

site_id	AC5
Number of Residues	5
Details	binding site for residue ACT A 505

Chain	Residue
A	TYR51
A	THR53
A	ARG233
A	HOH724
A	HOH801

site_id	AC6
Number of Residues	5
Details	binding site for residue NA A 506

Chain	Residue
A	PRO461
A	THR463
A	GLU465
A	HOH972
A	HOH991

site_id	AC7
Number of Residues	8
Details	binding site for residue ACT B 401

Chain	Residue
B	ARG59
B	ASN60
B	SER62
B	LEU64
B	LYS65
B	TRP69
B	TRP212
B	HOH1008

site_id	AC8
Number of Residues	6
Details	binding site for residue FE D 501

Chain	Residue
D	GLU104
D	GLU134
D	HIS137
D	FE502
D	ACT506
D	HOH950

site_id	AC9
Number of Residues	7
Details	binding site for residue FE D 502

Chain	Residue
D	GLU134
D	GLU197
D	GLU231
D	HIS234
D	FE501
D	ACT506
D	HOH950

site_id	AD1
Number of Residues	2
Details	binding site for residue PEG D 503

Chain	Residue
D	TRP315
D	GLU431

site_id	AD2
Number of Residues	5
Details	binding site for residue ACT D 504

Chain	Residue
D	TYR51
D	THR53
D	ARG233
D	HOH675
D	HOH891

site_id	AD3
Number of Residues	2
Details	binding site for residue ACT D 505

Chain	Residue
D	GLY207
D	TRP297

site_id	AD4
Number of Residues	10
Details	binding site for residue ACT D 506

Chain	Residue
D	GLU104
D	HIS137
D	GLU197
D	PHE205
D	GLU231
D	FE501
D	FE502
D	HOH687
D	HOH949
D	HOH950

site_id	AD5
Number of Residues	6
Details	binding site for residue FES H 201

Chain	Residue
H	CYS45
H	HIS47
H	GLN48
H	CYS64
H	HIS67
H	TRP69

site_id	AD6
Number of Residues	6
Details	binding site for residue FES I 201

Chain	Residue
I	CYS45
I	HIS47
I	GLN48
I	CYS64
I	HIS67
I	TRP69

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

site_id	SWS_FT_FI2
Number of Residues	192
Details	Domain: {"description":"Rieske","evidences":[{"source":"PROSITE-ProRule","id":"PRU00628","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15452777","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16627939","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17850744","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25248368","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1SJG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1VM9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q3W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P1B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4P1C","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)