2IGA

Structure of Homoprotocatechuate 2,3-Dioxygenase from B. fuscum in complex with reactive intermediates formed via in crystallo reaction with 4-nitrocatechol at low oxygen concentrations.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0046872	molecular_function	metal ion binding
A	0051213	molecular_function	dioxygenase activity
B	0046872	molecular_function	metal ion binding
B	0051213	molecular_function	dioxygenase activity
C	0046872	molecular_function	metal ion binding
C	0051213	molecular_function	dioxygenase activity
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 500

Chain	Residue
A	HIS155
A	HIS214
A	GLU267
A	XXP600
A	HOH1042

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 700

Chain	Residue
A	ARG243
A	HIS248
A	ARG293

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 B 500

Chain	Residue
B	HIS214
B	GLU267
B	XX3600
B	HIS155

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 700

Chain	Residue
B	ARG243
B	HIS248
B	ARG293

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 C 500

Chain	Residue
C	HIS155
C	HIS214
C	GLU267
C	OXY600
C	XX2601

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 700

Chain	Residue
C	ARG243
C	HIS248
C	ARG293

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 D 500

Chain	Residue
D	HIS155
D	HIS214
D	GLU267
D	XX3600

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 700

Chain	Residue
D	ARG243
D	HIS248
D	ARG293

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 701

Chain	Residue
A	ASP184
A	GLU185
A	HOH1263
B	ASP184
B	GLU185
B	HOH902

---

site_id	BC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE XXP A 600

Chain	Residue
A	HIS155
A	ASN157
A	TRP192
A	HIS200
A	HIS214
A	HIS248
A	VAL250
A	SER251
A	TYR257
A	GLU267
A	TYR269
A	ARG292
A	ARG293
A	TRP304
A	FE2500
A	HOH1042

---

site_id	BC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE XX3 B 600

Chain	Residue
B	HIS155
B	ASN157
B	TRP192
B	HIS200
B	HIS214
B	ARG243
B	HIS248
B	VAL250
B	SER251
B	TYR257
B	GLU267
B	TYR269
B	ARG292
B	ARG293
B	FE2500

---

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE XX2 C 601

Chain	Residue
C	HIS155
C	TRP192
C	HIS200
C	HIS214
C	HIS248
C	VAL250
C	SER251
C	TYR257
C	GLU267
C	TYR269
C	ARG292
C	ARG293
C	FE2500
C	OXY600

---

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE OXY C 600

Chain	Residue
C	HIS155
C	ASN157
C	TRP192
C	HIS200
C	ALA203
C	HIS214
C	FE2500
C	XX2601

---

site_id	BC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE XX3 D 600

Chain	Residue
D	TYR269
D	ARG292
D	ARG293
D	FE2500
D	HIS155
D	ASN157
D	TRP192
D	HIS200
D	HIS214
D	HIS248
D	VAL250
D	SER251
D	TYR257
D	GLU267

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 801

Chain	Residue
A	ARG243
A	GLY244
A	PRO299
A	HOH1108
A	HOH1150
C	ASN298
C	HOH1034

---

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 802

Chain	Residue
B	ARG243
B	GLY244
B	ASN298
B	PRO299
B	VAL301
B	HOH834
B	HOH841
D	ASN298
D	HOH996

---

site_id	BC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 803

Chain	Residue
B	ASN298
D	GLY244
D	ASN298
D	PRO299
D	VAL301
D	HOH833
D	HOH836
D	HOH996

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 804

Chain	Residue
B	ASP289
B	PHE341
B	ARG343
B	ALA344
B	HOH1025
D	ARG236

---

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 805

Chain	Residue
D	THR26
D	ASP27
D	PRO261
D	ASP262
D	HOH821
D	HOH934

---

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 806

Chain	Residue
B	LYS75
B	ARG104
B	PHE108
B	HOH869
B	HOH1080
B	HOH1106

---

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 807

Chain	Residue
A	ASN298
C	ARG243
C	GLY244
C	PRO299
C	HOH856
C	HOH928
C	HOH1034

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 808

Chain	Residue
C	VAL24
C	LYS68
C	LYS75
C	HOH933

---

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 809

Chain	Residue
B	ILE283
B	THR284
B	TRP285
B	HOH859
B	HOH884

---

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 810

Chain	Residue
C	ILE283
C	THR284
C	HOH843
C	HOH921

---

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 811

Chain	Residue
A	ILE283
A	THR284
A	TRP285
A	HOH1078
A	HOH1215
A	HOH1253

---

site_id	CC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 812

Chain	Residue
B	ASP14
B	ARG195

---

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 813

Chain	Residue
B	SER44
B	TYR45
B	HIS61
B	LYS110
B	HOH1010
B	HOH1088

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
A	GLU267

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
B	GLU267

---

site_id	CSA3
Number of Residues	1
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
C	GLU267

---

site_id	CSA4
Number of Residues	1
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
D	GLU267

---

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
A	TYR257
A	HIS248
A	HIS200

---

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
B	TYR257
B	HIS248
B	HIS200

---

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
C	TYR257
C	HIS248
C	HIS200

---

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1fro

Chain	Residue	Details
D	TYR257
D	HIS248
D	HIS200

---