Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3RMK

Toluene 4 monooxygenase H with 4-bromophenol

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 1

Chain	Residue
A	GLU104
A	GLU134
A	HIS137
A	FE494
A	HOH738
A	HOH739
A	BML1912

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE A 494

Chain	Residue
A	GLU197
A	GLU231
A	HIS234
A	HOH738
A	BML1912
A	FE1
A	GLU134

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE BML A 1912

Chain	Residue
A	FE1
A	GLY103
A	GLU104
A	ALA107
A	GLU134
A	PHE176
A	GLU197
A	GLU231
A	FE494
A	HOH519
A	HOH738

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BML A 495

Chain	Residue
A	TRP167
A	GLY334
A	VAL335
A	TRP338
A	THR341
A	PRO394
A	PRO403
A	VAL405

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BML A 496

Chain	Residue
A	HIS96
A	PHE196
A	THR273

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BML A 2056

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

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 497

Chain	Residue
A	ASP259
A	PRO314
A	TRP315
A	HOH734

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 498

Chain	Residue
A	GLN154
A	ASN345
A	GLU477
A	MET479
A	LYS481
A	HOH741

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BML B 1912

Chain	Residue
A	MET3
A	PRO56
B	GLU91
B	GLN95
B	PHE98
B	HIS165

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 1

Chain	Residue
B	ASP40
B	ASP40
B	HOH938
B	HOH938
B	HOH1269
B	HOH1269

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 308

Chain	Residue
B	ASP179
B	HOH1361
E	ASP179
E	HOH808

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA B 309

Chain	Residue
B	HOH725
B	HOH848

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 494

Chain	Residue
D	GLU134
D	GLU197
D	GLU231
D	HIS234
D	FE495
D	HOH724
D	BML1912

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE D 495

Chain	Residue
D	GLU104
D	GLU134
D	HIS137
D	FE494
D	HOH723
D	HOH724
D	BML1912

site_id	BC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE BML D 1912

Chain	Residue
D	GLY103
D	GLU104
D	ALA107
D	GLU134
D	PHE176
D	GLU197
D	GLU231
D	FE494
D	FE495
D	HOH723
D	HOH724

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BML D 496

Chain	Residue
D	TRP338
D	THR341
D	PRO403
D	VAL405
D	TRP167
D	GLY334
D	VAL335

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BML D 497

Chain	Residue
D	ILE100
D	PHE196
D	PHE269
D	LEU272
D	HOH505

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BML D 498

Chain	Residue
D	GLU391
D	THR392
D	LEU393
D	MET462
D	THR463
D	LEU464
D	ALA467

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA D 1

Chain	Residue
D	GLU477
D	HOH811
D	HOH976

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 1

Chain	Residue
B	HOH336
D	HOH908
E	HOH351
E	HOH985
E	HOH1059

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 308

Chain	Residue
E	LYS31
E	LEU32
E	HIS33
E	ALA145
E	SER146
E	HOH451

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 309

Chain	Residue
E	LYS31
E	HOH395
E	HOH1038
E	HOH1168
E	HOH1355

site_id	CC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE PGE E 310

Chain	Residue
D	ALA456
D	GLY457
D	GLN460
D	MET462
E	LYS288
E	TRP289
E	LEU292
E	ARG295
E	HOH995

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 311

Chain	Residue
E	VAL281
E	TRP285
E	HOH339
E	HOH1344
E	HOH1402

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA E 312

Chain	Residue
E	GLU103
E	HOH418
E	HOH420

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA E 313

Chain	Residue
E	ASN68
E	ASP70
E	HOH780
E	HOH1092

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 314

Chain	Residue
A	ARG63
D	SER60
D	HOH1444
E	ASP88
E	HOH945

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA E 315

Chain	Residue
E	ASP48
E	GLN57
E	HOH414
E	HOH979
E	HOH1268

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA F 1

Chain	Residue
F	ALA68
F	HOH87
F	HOH88
F	HOH240
F	HOH764
F	HOH989
F	HOH1454

site_id	DC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PGE F 85

Chain	Residue
F	PRO45
F	ARG46
F	GLU47
F	HOH260

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA F 86

Chain	Residue
F	HOH789
F	HOH1353
F	HOH1373

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

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