1MPY

STRUCTURE OF CATECHOL 2,3-DIOXYGENASE (METAPYROCATECHASE) FROM PSEUDOMONAS PUTIDA MT-2

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0008198	molecular_function	ferrous iron binding
A	0009056	biological_process	catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0018577	molecular_function	catechol 2,3-dioxygenase activity
A	0042203	biological_process	toluene catabolic process
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
B	0003824	molecular_function	catalytic activity
B	0008198	molecular_function	ferrous iron binding
B	0009056	biological_process	catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0018577	molecular_function	catechol 2,3-dioxygenase activity
B	0042203	biological_process	toluene catabolic process
B	0046872	molecular_function	metal ion binding
B	0051213	molecular_function	dioxygenase activity
C	0003824	molecular_function	catalytic activity
C	0008198	molecular_function	ferrous iron binding
C	0009056	biological_process	catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0018577	molecular_function	catechol 2,3-dioxygenase activity
C	0042203	biological_process	toluene catabolic process
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
D	0003824	molecular_function	catalytic activity
D	0008198	molecular_function	ferrous iron binding
D	0009056	biological_process	catabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0018577	molecular_function	catechol 2,3-dioxygenase activity
D	0042203	biological_process	toluene catabolic process
D	0046872	molecular_function	metal ion binding
D	0051213	molecular_function	dioxygenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 A 308

Chain	Residue
A	HIS153
A	HIS214
A	SER216
A	GLU265
A	ACN309

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 B 308

Chain	Residue
B	GLU265
B	ACN309
B	HIS153
B	HIS214
B	SER216
B	TYR255

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 C 308

Chain	Residue
C	HIS153
C	HIS214
C	SER216
C	GLU265
C	ACN309

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 D 308

Chain	Residue
D	HIS153
D	HIS214
D	SER216
D	GLU265
D	ACN309

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACN A 309

Chain	Residue
A	PHE191
A	HIS246
A	LEU248
A	THR249
A	TYR255
A	FE2308

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACN B 309

Chain	Residue
B	HIS246
B	LEU248
B	THR249
B	TYR255
B	FE2308

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACN C 309

Chain	Residue
C	HIS246
C	LEU248
C	TYR255
C	FE2308

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACN D 309

Chain	Residue
D	LEU155
D	HIS246
D	TYR255
D	ILE291
D	FE2308

---

Functional Information from PROSITE/UniProt

site_id	PS00082
Number of Residues	22
Details	EXTRADIOL_DIOXYGENAS Extradiol ring-cleavage dioxygenases signature. TrHglthgktIYffDPsGnrnE

Chain	Residue	Details
A	THR244-GLU265

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	460
Details	Domain: {"description":"VOC 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU01163","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	476
Details	Domain: {"description":"VOC 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01163","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10368270

Chain	Residue	Details
A	HIS199
A	HIS246
A	TYR255

---

site_id	CSA2
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10368270

Chain	Residue	Details
B	HIS199
B	HIS246
B	TYR255

---

site_id	CSA3
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10368270

Chain	Residue	Details
C	HIS199
C	HIS246
C	TYR255

---

site_id	CSA4
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 10368270

Chain	Residue	Details
D	HIS199
D	HIS246
D	TYR255

---

site_id	MCSA1
Number of Residues	6
Details	M-CSA 34

Chain	Residue	Details
A	HIS153	metal ligand
A	HIS199	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	HIS214	metal ligand
A	HIS246	polar/non-polar interaction, steric role
A	TYR255	polar/non-polar interaction, steric role
A	GLU265	metal ligand

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 34

Chain	Residue	Details
B	HIS153	metal ligand
B	HIS199	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	HIS214	metal ligand
B	HIS246	polar/non-polar interaction, steric role
B	TYR255	polar/non-polar interaction, steric role
B	GLU265	metal ligand

---

site_id	MCSA3
Number of Residues	6
Details	M-CSA 34

Chain	Residue	Details
C	HIS153	metal ligand
C	HIS199	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	HIS214	metal ligand
C	HIS246	polar/non-polar interaction, steric role
C	TYR255	polar/non-polar interaction, steric role
C	GLU265	metal ligand

---

site_id	MCSA4
Number of Residues	6
Details	M-CSA 34

Chain	Residue	Details
D	HIS153	metal ligand
D	HIS199	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	HIS214	metal ligand
D	HIS246	polar/non-polar interaction, steric role
D	TYR255	polar/non-polar interaction, steric role
D	GLU265	metal ligand

---