Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MI1

Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005506	molecular_function	iron ion binding
A	0008199	molecular_function	ferric iron binding
A	0009056	biological_process	catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
A	0042952	biological_process	beta-ketoadipate pathway
A	0051213	molecular_function	dioxygenase activity
B	0003824	molecular_function	catalytic activity
B	0005506	molecular_function	iron ion binding
B	0008199	molecular_function	ferric iron binding
B	0009056	biological_process	catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
B	0042952	biological_process	beta-ketoadipate pathway
B	0051213	molecular_function	dioxygenase activity
C	0003824	molecular_function	catalytic activity
C	0005506	molecular_function	iron ion binding
C	0008199	molecular_function	ferric iron binding
C	0009056	biological_process	catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
C	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
C	0042952	biological_process	beta-ketoadipate pathway
C	0051213	molecular_function	dioxygenase activity
M	0003824	molecular_function	catalytic activity
M	0005506	molecular_function	iron ion binding
M	0008199	molecular_function	ferric iron binding
M	0016491	molecular_function	oxidoreductase activity
M	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
M	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
M	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
M	0042952	biological_process	beta-ketoadipate pathway
M	0046872	molecular_function	metal ion binding
M	0051213	molecular_function	dioxygenase activity
N	0003824	molecular_function	catalytic activity
N	0005506	molecular_function	iron ion binding
N	0008199	molecular_function	ferric iron binding
N	0016491	molecular_function	oxidoreductase activity
N	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
N	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
N	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
N	0042952	biological_process	beta-ketoadipate pathway
N	0046872	molecular_function	metal ion binding
N	0051213	molecular_function	dioxygenase activity
O	0003824	molecular_function	catalytic activity
O	0005506	molecular_function	iron ion binding
O	0008199	molecular_function	ferric iron binding
O	0016491	molecular_function	oxidoreductase activity
O	0016702	molecular_function	oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
O	0018578	molecular_function	protocatechuate 3,4-dioxygenase activity
O	0019619	biological_process	3,4-dihydroxybenzoate catabolic process
O	0042952	biological_process	beta-ketoadipate pathway
O	0046872	molecular_function	metal ion binding
O	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ASN37
A	THR105
A	HIS107
A	HOH258
A	HOH631

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 202

Chain	Residue
A	ASP186
A	ARG188
A	HOH235
A	HOH885
A	HOH1033
A	THR169
A	ILE171
A	ARG184
A	PHE185

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
A	THR12
A	GLY14
A	HOH1055
M	ARG457
M	TYR462
M	GLN477
M	HOH1067

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	ARG133
A	HOH1055
A	HOH1084
A	HOH1163
M	TYR324
M	THR326
M	TRP449
M	HOH552

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL M 1

Chain	Residue
B	ILE2
M	GLN503
M	LYS507
M	ARG522
M	PHE523
M	ASP524

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME M 541

Chain	Residue
M	ARG409
M	PRO421

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME M 542

Chain	Residue
M	PHE535
O	HIS361

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	ARG38
B	THR105
B	HIS107
B	HOH450

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 202

Chain	Residue
B	ARG133
B	HOH557
B	HOH1060
N	HOH226
N	TYR324
N	THR326
N	TRP449
N	HOH1198

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
B	THR12
B	GLY14
B	HOH1060
N	ARG457
N	TYR462
N	GLN477
N	HOH1077

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 N 8

Chain	Residue
N	ARG414
N	ARG450
N	HOH1219

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL N 539

Chain	Residue
N	GLN503
N	ILE505
N	LYS507
N	ARG522
N	PHE523
N	ASP524

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME N 540

Chain	Residue
N	ARG407
N	LEU419

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	THR105
C	HIS107
C	HOH669

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 C 202

Chain	Residue
C	ARG133
C	HOH665
C	HOH1058
C	HOH1242
O	HOH236
O	TYR324
O	THR326
O	TRP449

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 203

Chain	Residue
C	THR169
C	ILE171
C	ARG184
C	PHE185
C	ASP186
C	ARG188
C	HOH673
C	HOH1028

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME C 204

Chain	Residue
C	PRO164
C	ARG167
C	HOH679

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME C 205

Chain	Residue
C	LEU23
C	ASN28
C	PRO29
C	HOH530
O	PHE367

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
C	GLY14
C	HOH1058
O	ARG457
O	TYR462
O	GLN477
O	HOH1078
C	THR12

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL O 1

Chain	Residue
O	GLN503
O	ILE505
O	ARG522
O	PHE523
O	ASP524

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME O 539

Chain	Residue
O	ARG407
O	LEU419

site_id	CC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME O 540

Chain	Residue
O	THR321
O	PRO322
O	ASP323
O	LYS493
O	HOH551

site_id	CC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL O 541

Chain	Residue
O	ARG383

site_id	CC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 203

Chain	Residue
B	GLU168
B	THR169
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	ARG188
B	HOH564
B	HOH973

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 O 3

Chain	Residue
O	ASN412
O	ARG414
O	ARG450

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL M 540

Chain	Residue
M	HOH87
M	ARG407
M	LEU419

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME N 1

Chain	Residue
N	HIS534
N	PHE535
N	GLU536

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME O 542

Chain	Residue
O	HIS534
O	PHE535

Functional Information from PROSITE/UniProt

site_id	PS00083
Number of Residues	29
Details	INTRADIOL_DIOXYGENAS Intradiol ring-cleavage dioxygenases signature. VaGrVvdqyGkpVpntlVEMwqanagGrY

Chain	Residue	Details
M	VAL380-TYR408
A	LEU51-TYR79

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7990141","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
B	THR108	metal ligand
B	ASP147	metal ligand, proton shuttle (general acid/base)
B	VAL157	electrostatic stabiliser
B	LEU160	metal ligand
B	GLU162	metal ligand