Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MFL

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	3
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ASN37
A	THR105
A	HIS107

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 202

Chain	Residue
A	HOH901
A	THR169
A	ILE171
A	ARG184
A	PHE185
A	ASP186
A	ARG188

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 203

Chain	Residue
A	ARG38
A	LEU39
A	LYS41
A	LEU85
A	ASN87
A	ALA88
A	ASN90

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME A 204

Chain	Residue
A	PRO164
A	HOH255

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
M	TYR408
M	HIS447
M	HIS460
M	TYR462
M	DHY539

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CO3 M 1

Chain	Residue
M	ARG383

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE DHY M 539

Chain	Residue
A	PRO15
A	TYR16
A	ARG133
A	HOH232
M	TYR408
M	HIS447
M	PRO448
M	TRP449
M	ARG457
M	HIS460
M	TYR462
M	HOH579
M	FE600
M	HOH808
M	HOH907
M	HOH916

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	ARG38
B	THR105
B	HIS107

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

Chain	Residue
B	GLU168
B	THR169
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	ARG188
B	HOH883

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME B 203

Chain	Residue
B	LEU23
B	ASN28
B	PRO29
B	HOH742
N	PHE367

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME B 204

Chain	Residue
B	GLU69
B	ASN127
B	ILE128
B	SER129
B	HIS140
B	HOH249
N	ILE470

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	TYR408
N	HIS447
N	HIS460
N	TYR462
N	DHY539

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 N 4

Chain	Residue
N	ARG383
N	ASP434
N	HOH723

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL N 1

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

site_id	BC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE DHY N 539

Chain	Residue
B	PRO15
B	TYR16
B	HOH894
N	TYR408
N	HIS447
N	TRP449
N	ARG450
N	ARG457
N	HIS460
N	TYR462
N	FE600
N	HOH756
N	HOH897
N	HOH917
N	HOH1023
N	HOH1037

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	THR105
C	HIS107
C	HOH990

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 202

Chain	Residue
C	ILE171
C	ARG184
C	PHE185
C	ASP186
C	ARG188
C	HOH955
C	HOH1048
C	THR169

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	TYR408
O	HIS447
O	HIS460
O	TYR462
O	DHY540

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL O 1

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

site_id	CC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE DHY O 540

Chain	Residue
C	PRO15
C	TYR16
O	TYR408
O	HIS447
O	TRP449
O	ARG450
O	ARG457
O	HIS460
O	TYR462
O	FE600
O	HOH768
O	HOH770
O	HOH887
O	HOH914
O	HOH1022

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU51-TYR79
M	VAL380-TYR408

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