Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MV4

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	4
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ASN37
A	THR105
A	HIS107
A	HOH705

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 0

Chain	Residue
A	ARG188
A	HOH1110
A	HOH1316
A	THR169
A	ILE171
A	ARG184
A	PHE185
A	ASP186

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BME A 202

Chain	Residue
A	TYR56
A	ASP57
A	GLY60
A	ARG188
A	GLN190
A	GLY191
A	GLU192
A	HOH1108

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	ARG38
B	THR105
B	HIS107

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 202

Chain	Residue
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	HOH1367

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	THR105
C	HIS107
C	HOH833
C	HOH1031

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL C 202

Chain	Residue
C	GLU168
C	THR169
C	ILE171
C	ALA172
C	ARG184
C	PHE185
C	ASP186
C	ARG188
C	HOH1197
C	HOH1490

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 M 6

Chain	Residue
M	ARG414
M	ARG450
M	HOH1283

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL M 2

Chain	Residue
M	ARG409
M	LEU419
M	PRO421
M	HOH567

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
M	TYR408
M	HIS447
M	HIS460
M	TYR462
M	CO3543

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL M 1

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

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME M 539

Chain	Residue
A	ARG31
M	ASP360
M	ASN366
M	VAL426
M	GLY427

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME M 540

Chain	Residue
M	PHE356
M	CYS429
M	LEU430
M	HOH587

site_id	BC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BME M 541

Chain	Residue
A	PRO15
A	ARG133
M	HOH220
M	TYR324
M	THR326
M	TRP449
M	ILE491
M	CO3543

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME M 542

Chain	Residue
M	GLY482
M	GLN502
M	ILE505
M	LYS507
M	HOH797

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CO3 M 543

Chain	Residue
A	TYR16
M	HOH220
M	TYR408
M	HIS447
M	ARG457
M	HIS460
M	TYR462
M	BME541
M	FE600
M	HOH1450

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 N 4

Chain	Residue
N	ARG409
N	PRO421
N	HOH586

site_id	BC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 N 5

Chain	Residue
M	ARG383

site_id	CC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME N 1

Chain	Residue
N	HOH296
N	PHE356
N	CYS429
N	LEU430
N	HOH611
N	HOH940
A	GLU176

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	TYR408
N	HIS447
N	HIS460
N	TYR462
N	CO3542

site_id	CC3
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	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CO3 N 540

Chain	Residue
N	HOH257
N	ARG450
O	HOH225
O	SER338

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CO3 N 541

Chain	Residue
M	ILE328
N	ARG333
N	HOH721
N	HOH928

site_id	CC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CO3 N 542

Chain	Residue
B	TYR16
N	HOH82
N	TYR408
N	HIS447
N	ARG457
N	HIS460
N	TYR462
N	FE600
N	HOH1451
N	HOH1555

site_id	CC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME N 543

Chain	Residue
B	PRO15
B	ARG133
N	HOH82
N	TYR324
N	THR326
N	TRP449
N	HOH1555

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME N 544

Chain	Residue
N	HIS534
N	PHE535
N	GLU536
N	HOH1084

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 O 7

Chain	Residue
O	ARG409
O	LEU419
O	PRO421
O	HOH543

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	CO31
O	TYR408
O	HIS447
O	HIS460
O	TYR462

site_id	DC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CO3 O 1

Chain	Residue
C	TYR16
O	HOH172
O	TYR408
O	HIS447
O	ARG457
O	HIS460
O	TYR462
O	FE600
O	HOH1086
O	HOH1563

site_id	DC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BME O 539

Chain	Residue
C	GLY14
C	PRO15
C	ARG133
O	HOH172
O	TYR324
O	THR326
O	TRP449
O	HOH1563

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME O 540

Chain	Residue
N	SER438
O	HIS534
O	PHE535

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE BME O 541

Chain	Residue
C	ARG31
C	ASP32
C	HOH1579
O	GLY357
O	ASP360
O	HOH608

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

site_id	MCSA2
Number of Residues	5
Details	M-CSA 936

Chain

Residue

Details

site_id	MCSA3
Number of Residues	5
Details	M-CSA 936

Chain

Residue

Details

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