4QS5

CRYSTAL STRUCTURE of 5-CARBOXYVANILLATE DECARBOXYLASE LIGW2 FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 (TARGET EFI-505250) WITH BOUND MANGANESE AND 3-methoxy-4-hydroxy-5-nitrobenzoic acid, THE D314N MUTANT

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	ASN314
A	1DF402
A	HOH695

---

site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 1DF A 402

Chain	Residue
A	SER91
A	HIS188
A	HIS241
A	ASN314
A	TYR317
A	MN401
A	HOH513
A	HOH593
B	ARG252
B	MET256
B	HOH754
A	GLU19
A	TYR51
A	ARG58
A	THR90

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 403

Chain	Residue
A	ASP41
A	GLN162
A	PRO193
A	ASP194
A	HOH590

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 404

Chain	Residue
A	TYR121
A	PRO122
A	ASP123

---

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

Chain	Residue
A	HIS257
A	GLN258
A	PRO271
A	LEU272
A	HOH572
A	HOH607

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN B 401

Chain	Residue
B	GLU19
B	HIS188
B	ASN314
B	1DF402
B	HOH708

---

site_id	AC7
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1DF B 402

Chain	Residue
A	ARG252
A	MET256
B	GLU19
B	LEU47
B	TYR51
B	THR90
B	SER91
B	HIS188
B	ALA208
B	HIS241
B	ASN314
B	TYR317
B	MN401
B	HOH509
B	HOH571
B	HOH620
B	HOH709

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 403

Chain	Residue
B	ASP307
B	LYS339
B	THR343
B	ASN344
B	LYS347

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL B 404

Chain	Residue
B	ASP41
B	GLN162
B	PRO193
B	ASP194
B	HOH634

---

site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 405

Chain	Residue
B	TYR121
B	ASP123

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN C 401

Chain	Residue
C	GLU19
C	HIS188
C	ASN314
C	1DF402
C	HOH726

---

site_id	BC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE 1DF C 402

Chain	Residue
C	GLU19
C	TYR51
C	THR90
C	SER91
C	HIS188
C	ALA208
C	HIS241
C	ASN314
C	TYR317
C	MN401
C	HOH524
C	HOH579
D	ARG252
D	MET256

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 403

Chain	Residue
C	ASP41
C	GLN162
C	PRO193
C	ASP194
C	HOH663

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 404

Chain	Residue
C	ASP307
C	LYS339
C	THR343
C	ASN344
C	LYS347

---

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT C 405

Chain	Residue
C	LEU272
C	HOH666
C	HOH679
C	HIS257
C	PRO271

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MN D 401

Chain	Residue
D	GLU19
D	HIS188
D	ASN314
D	1DF402
D	HOH710

---

site_id	BC8
Number of Residues	15
Details	BINDING SITE FOR RESIDUE 1DF D 402

Chain	Residue
C	ARG252
C	MET256
C	HOH761
D	GLU19
D	TYR51
D	THR90
D	SER91
D	HIS188
D	PHE212
D	HIS241
D	ASN314
D	TYR317
D	MN401
D	HOH527
D	HOH711

---

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 403

Chain	Residue
D	ASP41
D	GLN162
D	PRO193
D	ASP194
D	HOH699

---

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL D 404

Chain	Residue
C	GLU277
D	TRP293
D	HOH748

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL D 405

Chain	Residue
D	ASP307
D	LYS339
D	THR343
D	ASN344

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