4QRN

HIGH-RESOLUTION CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE (TARGET EFI-505250) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 COMPLEXED WITH MANGANESE AND 4-HYDROXY-3-METHOXY-5-NITROBENZOIC ACID

Replaces:  4ING

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0016787	molecular_function	hydrolase activity
A	0016829	molecular_function	lyase activity
A	0016831	molecular_function	carboxy-lyase activity
A	0019748	biological_process	secondary metabolic process
A	0046872	molecular_function	metal ion binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0016787	molecular_function	hydrolase activity
B	0016829	molecular_function	lyase activity
B	0016831	molecular_function	carboxy-lyase activity
B	0019748	biological_process	secondary metabolic process
B	0046872	molecular_function	metal ion binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0016787	molecular_function	hydrolase activity
C	0016829	molecular_function	lyase activity
C	0016831	molecular_function	carboxy-lyase activity
C	0019748	biological_process	secondary metabolic process
C	0046872	molecular_function	metal ion binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0016787	molecular_function	hydrolase activity
D	0016829	molecular_function	lyase activity
D	0016831	molecular_function	carboxy-lyase activity
D	0019748	biological_process	secondary metabolic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN A 401

Chain	Residue
A	GLU19
A	HIS188
A	ASP314
A	1DF402
A	HOH572

---

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1DF A 402

Chain	Residue
A	SER91
A	HIS188
A	PHE212
A	HIS241
A	ASP314
A	TYR317
A	MN401
A	HOH512
A	HOH535
A	HOH546
A	HOH610
B	ARG252
B	MET256
A	GLU19
A	TYR51
A	ARG58
A	THR90

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 403

Chain	Residue
A	ASP41
A	GLN162
A	PRO193
A	ASP194
A	CL406
A	HOH692
A	HOH850
A	HOH916

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 404

Chain	Residue
A	ASP331
A	HOH861
A	HOH887
A	HOH997

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL A 405

Chain	Residue
A	VAL179
A	TYR232
A	PRO233
A	SER234
A	HOH815
A	HOH961

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 406

Chain	Residue
A	ASP194
A	SER195
A	GOL403
A	HOH768
B	HOH707

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 407

Chain	Residue
A	TYR121
A	PRO122
A	ASP123
A	HOH843

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 408

Chain	Residue
A	GLN134
A	ARG164
A	HOH680
A	HOH725
A	HOH925

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN B 401

Chain	Residue
B	GLU19
B	HIS188
B	ASP314
B	1DF402
B	HOH564

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1DF B 402

Chain	Residue
A	ARG252
A	MET256
B	GLU19
B	TYR51
B	ARG58
B	THR90
B	SER91
B	HIS188
B	PHE212
B	HIS241
B	ASP314
B	TYR317
B	MN401
B	HOH512
B	HOH515
B	HOH540
B	HOH584

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 403

Chain	Residue
B	ASP41
B	GLN162
B	PRO193
B	ASP194
B	HOH822
B	HOH843
B	HOH966

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 404

Chain	Residue
A	SER263
A	HOH664
B	ARG58
B	HOH880

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN C 401

Chain	Residue
C	GLU19
C	HIS188
C	ASP314
C	1DF402
C	HOH575

---

site_id	BC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1DF C 402

Chain	Residue
C	ASP314
C	TYR317
C	MN401
C	HOH512
C	HOH536
C	HOH593
C	HOH614
D	ARG252
D	MET256
C	GLU19
C	TYR51
C	ARG58
C	THR90
C	SER91
C	HIS188
C	HIS241

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 403

Chain	Residue
C	ASP41
C	GLN162
C	PRO193
C	ASP194
C	HOH684
C	HOH755
C	HOH1006

---

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL C 404

Chain	Residue
C	TYR255
C	GLN258
C	ALA259
C	ARG262
C	HOH534
C	HOH691
C	HOH819
C	HOH921

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 405

Chain	Residue
C	ARG58
D	SER263
D	HOH674

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 406

Chain	Residue
C	GLU169
C	ARG268
C	HOH753

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN D 401

Chain	Residue
D	GLU19
D	HIS188
D	ASP314
D	1DF402
D	HOH542

---

site_id	CC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 1DF D 402

Chain	Residue
C	ARG252
C	MET256
D	GLU19
D	TYR51
D	ARG58
D	THR90
D	SER91
D	HIS188
D	HIS241
D	ASP314
D	TYR317
D	MN401
D	HOH509
D	HOH545
D	HOH582
D	HOH610

---

site_id	CC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL D 403

Chain	Residue
D	ASP41
D	GLN162
D	PRO193
D	ASP194
D	HOH691
D	HOH800
D	HOH809
D	HOH881

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL D 404

Chain	Residue
D	TYR121
D	PRO122
D	ASP123

---

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 405

Chain	Residue
D	VAL179
D	TYR232
D	PRO233
D	SER234

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