3LXV

Tyrosine 447 of Protocatechuate 3,4-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	5
Details	BINDING SITE FOR RESIDUE SO4 A 201

Chain	Residue
A	ASN37
A	ARG38
A	THR105
A	HIS107
A	HOH886

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 202

Chain	Residue
A	LEU85
A	ASN87
A	ALA88
A	ASN90
A	ARG38
A	LEU39
A	ALA40
A	LYS41

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME A 203

Chain	Residue
A	PRO42
A	HIS48
A	LYS180

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME A 204

Chain	Residue
A	LEU23
A	ASN28
A	PRO29
A	HOH705
M	VAL426

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE TRS A 205

Chain	Residue
A	THR169
A	ILE171
A	ARG184
A	PHE185
A	ASP186
A	ARG188
A	HOH850
A	HOH851
A	HOH1000

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CO3 A 206

Chain	Residue
A	TYR56
A	GLY60
A	ARG188

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE M 600

Chain	Residue
M	4NC1
M	TYR408
M	HIS460
M	HIS462
M	HOH948

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL M 5

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

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL N 6

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

---

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL M 7

Chain	Residue
M	HOH117
M	ARG307
M	PHE308
M	HOH788
M	HOH815
O	MET510
O	ASN511
O	ALA513
O	PRO515
O	HOH895

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME M 15

Chain	Residue
M	PHE356
M	CYS429
M	LEU430
M	HOH818
M	HOH884

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL N 9

Chain	Residue
M	ILE328
N	ARG333
N	HOH1033

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME M 16

Chain	Residue
M	ASP432
M	SER433
M	HOH891

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL N 10

Chain	Residue
N	ILE486
N	VAL501
N	GLN502
N	ILE505
N	HOH1035
N	HOH1057

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME M 18

Chain	Residue
M	ARG450
M	PRO453
M	PRO515
M	HOH772
N	SER338

---

site_id	BC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CO3 M 29

Chain	Residue
M	ARG383

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME N 12

Chain	Residue
N	HIS534
N	PHE535
N	HOH883

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CO3 M 33

Chain	Residue
M	PHE535
M	HOH1031
O	HOH1048

---

site_id	CC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 4NC M 1

Chain	Residue
M	HOH964
M	HOH1010
A	PRO15
A	ARG133
M	TYR324
M	TYR408
M	HIS447
M	TRP449
M	ARG457
M	HIS460
M	HIS462
M	ILE491
M	FE600
M	HOH948

---

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	ARG38
B	THR105
B	HIS107
B	HOH457

---

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME B 202

Chain	Residue
B	ASN152
B	PRO164
B	ARG167
B	HOH539

---

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE TRS B 203

Chain	Residue
B	GLU168
B	ILE171
B	ARG184
B	PHE185
B	ASP186
B	ARG188
B	HOH937
B	HOH965

---

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 204

Chain	Residue
B	HIS61
B	LEU62

---

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	4NC2
N	TYR408
N	HIS460
N	HIS462
N	HOH949

---

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BME N 22

Chain	Residue
M	PRO515
M	HOH590
M	HOH1054
N	ARG307
N	PHE308
N	ARG531
N	HOH978
N	HOH1039

---

site_id	CC8
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 4NC 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	FE600
N	HOH949
N	HOH957

---

site_id	CC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	THR105
C	HIS107

---

site_id	DC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 202

Chain	Residue
C	ILE171
C	ARG184
C	ASP186
C	ARG188
C	HOH813

---

site_id	DC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME C 203

Chain	Residue
C	ASN152
C	ASN159
C	ARG167
C	GLU168

---

site_id	DC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE BME C 204

Chain	Residue
C	ARG133
C	HOH975
O	4NC3
O	TRP449
O	ARG450
O	HOH811
O	HOH974

---

site_id	DC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CO3 N 31

Chain	Residue
N	ARG450
N	GLY452
N	HOH591
O	SER338

---

site_id	DC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CO3 C 205

Chain	Residue
C	ARG38
C	LEU39
C	LYS41
C	ASN84
C	LEU85
C	ASN87
C	ASN90
C	HOH1055

---

site_id	DC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE BME O 14

Chain	Residue
O	THR321
O	PRO322
O	ASP323
O	LYS493
O	HOH552

---

site_id	DC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME O 17

Chain	Residue
N	SER438
O	HIS534
O	PHE535

---

site_id	DC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BME O 19

Chain	Residue
O	ARG407
O	PRO418
O	LEU419
O	HOH1062

---

site_id	DC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL N 34

Chain	Residue
N	HIS359
N	ASP362

---

site_id	EC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME O 20

Chain	Residue
O	ARG383

---

site_id	EC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE BME O 21

Chain	Residue
N	ILE328
N	HOH1037
O	ARG333

---

site_id	EC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE TRS O 27

Chain	Residue
O	GLN503
O	ILE505
O	ARG522
O	PHE523
O	ASP524
O	HOH1005

---

site_id	EC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL O 36

Chain	Residue
O	ASP432
O	SER433

---

site_id	EC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 4NC O 37

Chain	Residue
O	HOH250
O	PRO487
O	LYS493
O	VAL501
O	GLN502
O	ILE505
O	HOH572

---

site_id	EC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	4NC3
O	TYR408
O	HIS460
O	HIS462
O	HOH952

---

site_id	EC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 4NC O 3

Chain	Residue
C	PRO15
C	ARG133
C	BME204
O	TYR324
O	TYR408
O	HIS447
O	TRP449
O	ARG457
O	HIS460
O	HIS462
O	ILE491
O	FE600
O	HOH952
O	HOH955
O	HOH974

---

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

---

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

---