3T67

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	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	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	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	0009056	biological_process	catabolic process
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	0009056	biological_process	catabolic process
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	0009056	biological_process	catabolic process
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	HOH850

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 202

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

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 201

Chain	Residue
B	ASN37
B	ARG38
B	THR105
B	HIS107

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 201

Chain	Residue
C	ASN37
C	THR105
C	HIS107

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 202

Chain	Residue
C	THR169
C	ILE171
C	ARG184
C	PHE185
C	ASP186
C	ARG188
C	HOH861

---

site_id	AC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CAQ C 203

Chain	Residue
C	PRO164
C	ARG167

---

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

Chain	Residue
M	CAQ1
M	TYR408
M	TYR447
M	HIS460
M	HIS462

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CAQ M 1

Chain	Residue
A	PRO15
A	TYR16
A	HOH238
M	TYR408
M	TYR447
M	ARG457
M	HIS460
M	HIS462
M	FE600
M	HOH794

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE N 600

Chain	Residue
N	CAQ1
N	TYR408
N	TYR447
N	HIS460
N	HIS462

---

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CAQ N 1

Chain	Residue
B	PRO15
B	TYR16
B	HOH209
N	TYR408
N	TYR447
N	ARG457
N	HIS460
N	HIS462
N	FE600
N	HOH785

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE O 600

Chain	Residue
O	CAQ1
O	TYR408
O	TYR447
O	HIS460
O	HIS462

---

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CAQ O 1

Chain	Residue
C	PRO15
C	TYR16
C	HOH207
O	TYR408
O	TYR447
O	ARG457
O	HIS460
O	HIS462
O	FE600
O	HOH787

---

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	12
Details	BINDING: BINDING => ECO:0000269|PubMed:7990141

Chain	Residue	Details
M	TYR408
O	TYR447
O	HIS460
O	HIS462
M	TYR447
M	HIS460
M	HIS462
N	TYR408
N	TYR447
N	HIS460
N	HIS462
O	TYR408

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
M	TYR408	metal ligand
M	TYR447	metal ligand, proton shuttle (general acid/base)
M	ARG457	electrostatic stabiliser
M	HIS460	metal ligand
M	HIS462	metal ligand

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
N	TYR408	metal ligand
N	TYR447	metal ligand, proton shuttle (general acid/base)
N	ARG457	electrostatic stabiliser
N	HIS460	metal ligand
N	HIS462	metal ligand

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 936

Chain	Residue	Details
O	TYR408	metal ligand
O	TYR447	metal ligand, proton shuttle (general acid/base)
O	ARG457	electrostatic stabiliser
O	HIS460	metal ligand
O	HIS462	metal ligand

---