Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3LMX

Tyrosine 447 of Protocatechuate 34,-Dioxygenase Controls Efficient Progress Through Catalysis

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 GOL A 201

Chain	Residue
A	ILE171
A	ARG184
A	ASP186

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 202

Chain	Residue
A	ASN37
A	THR105
A	HIS107
A	HOH271

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 203

Chain	Residue
A	LYS180
A	HOH262
A	PRO42
A	HIS48

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME A 204

Chain	Residue
A	PRO1
A	GLU3
A	HOH319
N	LYS507

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME A 205

Chain	Residue
A	PRO164

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 206

Chain	Residue
A	ARG167

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME A 207

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

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME A 208

Chain	Residue
A	CYS175
A	ARG184

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
M	DHB1
M	TYR408
M	HIS460
M	HIS462

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE DHB M 1

Chain	Residue
A	PRO15
M	TYR324
M	TYR408
M	HIS447
M	TRP449
M	ARG457
M	HIS460
M	HIS462
M	FE600

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE DHB M 4

Chain	Residue
M	HOH116
M	ILE328
N	SO432
O	ARG333

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE DHB M 6

Chain	Residue
M	LYS318
M	ARG333
M	HOH574
N	SO432
N	ILE328

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL M 539

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

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL M 10

Chain	Residue
M	GLN530
M	ARG531
M	HOH559

site_id	BC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL M 13

Chain	Residue
M	ARG383

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 M 15

Chain	Residue
M	ARG409
M	PRO421

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME M 20

Chain	Residue
M	ARG407
M	LEU419

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME M 21

Chain	Residue
M	PHE535
M	GLU536
M	HOH578

site_id	CC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL M 27

Chain	Residue
M	SER433

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME M 28

Chain	Residue
M	ARG450
M	PRO453
M	PRO515
M	HOH596
O	SER338

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL M 30

Chain	Residue
M	ALA358

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME M 41

Chain	Residue
M	HIS361
M	CYS429
M	SER438

site_id	CC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME M 45

Chain	Residue
M	HOH263
M	ARG307
M	PHE308
M	ILE310
M	HOH562
N	ASN511
N	PRO515

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME M 46

Chain	Residue
M	SER338
M	PRO340
N	ARG450
N	PRO453

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME M 49

Chain	Residue
M	ARG383
M	TYR436
M	ASP524

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 201

Chain	Residue
B	THR169
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	HOH337

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 202

Chain	Residue
B	ASN37
B	THR105
B	HIS107

site_id	DC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME B 203

Chain	Residue
B	CYS175
B	ARG184

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	HIS460
N	HIS462
N	DHB2
N	TYR408

site_id	DC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DHB N 2

Chain	Residue
B	PRO15
B	ARG133
N	TYR324
N	TYR408
N	HIS447
N	TRP449
N	ARG457
N	HIS460
N	HIS462
N	ILE491
N	HOH586
N	FE600

site_id	DC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE DHB N 5

Chain	Residue
N	SO432
N	HOH64
N	ARG333
N	HOH583
O	ILE328
O	ARG333

site_id	DC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL N 11

Chain	Residue
N	SO416
N	ARG407
N	PRO418
N	LEU419

site_id	DC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL N 12

Chain	Residue
N	GLN503
N	LYS507
N	ARG522
N	ASP524

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 N 16

Chain	Residue
N	GOL11
N	ARG409
N	PRO421

site_id	DC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL N 24

Chain	Residue
B	ASP32
N	ALA358

site_id	DC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 N 32

Chain	Residue
M	DHB4
M	DHB6
M	LEU320
M	ARG333
N	DHB5
N	LEU320
O	LEU320

site_id	EC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME N 33

Chain	Residue
N	HOH108
N	PHE535
N	GLU536

site_id	EC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME N 40

Chain	Residue
N	HOH160
N	ASN314
N	LYS318
N	ALA496

site_id	EC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL N 42

Chain	Residue
N	ASP524

site_id	EC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME N 47

Chain	Residue
N	CYS429

site_id	EC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL N 48

Chain	Residue
N	ARG383
N	HOH591

site_id	EC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME N 50

Chain	Residue
N	HOH21
N	ILE339
N	PRO340
O	PRO453

site_id	EC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	ARG38
C	THR105
C	HIS107

site_id	EC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 202

Chain	Residue
C	HIS61
C	LEU62
C	ARG64
C	HOH571

site_id	EC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 203

Chain	Residue
C	THR98
C	PHE99
C	ASP100

site_id	FC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 C 204

Chain	Residue
C	ARG38

site_id	FC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME C 206

Chain	Residue
C	GLU168
C	ILE171
C	ARG184
C	PHE185
C	ASP186

site_id	FC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	DHB3
O	TYR408
O	HIS460
O	HIS462

site_id	FC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DHB O 3

Chain	Residue
C	PRO15
C	ARG133
O	TYR324
O	TYR408
O	HIS447
O	TRP449
O	ARG457
O	HIS460
O	HIS462
O	ILE491
O	FE600

site_id	FC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME O 5

Chain	Residue
O	HIS361
O	CYS429
O	SER438

site_id	FC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 O 14

Chain	Residue
O	ARG409
O	PRO421

site_id	FC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME O 22

Chain	Residue
O	ASP432
O	SER433

site_id	FC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME O 26

Chain	Residue
O	THR533
O	HIS534
O	PHE535
O	GLU536
O	HOH548

site_id	FC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL O 34

Chain	Residue
M	MET510
M	ASN511
M	ALA513
O	HOH142
O	PHE308
O	VAL309
O	ILE310
O	ARG531

site_id	GC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME O 37

Chain	Residue
B	ILE2
O	ARG522
O	PHE523
O	ASP524

site_id	GC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME O 38

Chain	Residue
N	HOH267
N	PHE308
N	ILE310
O	ASN511
O	ALA513

site_id	GC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME O 39

Chain	Residue
O	HOH143
O	LYS493
O	ALA496
O	HOH597

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