Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3EK1

Crystal structure of aldehyde dehydrogenase from brucella melitensis biovar abortus 2308

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
A	0005829	cellular_component	cytosol
A	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
A	0009450	biological_process	gamma-aminobutyric acid catabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
B	0005829	cellular_component	cytosol
B	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
B	0009450	biological_process	gamma-aminobutyric acid catabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
C	0005829	cellular_component	cytosol
C	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
C	0009450	biological_process	gamma-aminobutyric acid catabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
D	0005829	cellular_component	cytosol
D	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
D	0009450	biological_process	gamma-aminobutyric acid catabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
E	0005829	cellular_component	cytosol
E	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
E	0009450	biological_process	gamma-aminobutyric acid catabolic process
E	0016491	molecular_function	oxidoreductase activity
E	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
F	0005829	cellular_component	cytosol
F	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
F	0009450	biological_process	gamma-aminobutyric acid catabolic process
F	0016491	molecular_function	oxidoreductase activity
F	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
G	0005829	cellular_component	cytosol
G	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
G	0009450	biological_process	gamma-aminobutyric acid catabolic process
G	0016491	molecular_function	oxidoreductase activity
G	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H	0004777	molecular_function	succinate-semialdehyde dehydrogenase (NAD+) activity
H	0005829	cellular_component	cytosol
H	0009013	molecular_function	succinate-semialdehyde dehydrogenase [NAD(P)+] activity
H	0009450	biological_process	gamma-aminobutyric acid catabolic process
H	0016491	molecular_function	oxidoreductase activity
H	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 484

Chain	Residue
A	ARG181
A	ALA183
A	ASP184
A	ALA214
A	HOH657
A	HOH828
A	HOH1007

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MES A 485

Chain	Residue
A	ARG166
A	ARG284
A	CYS290
A	VAL291
A	SER445
A	HOH580
A	HOH649
A	TYR112
A	PHE159

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 B 484

Chain	Residue
B	ARG181
B	ALA183
B	ASP184
B	ALA214
B	HOH657
B	HOH734
B	HOH855
B	HOH860

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MES B 485

Chain	Residue
B	TYR112
B	PHE159
B	MET163
B	ARG166
B	GLU256
B	ARG284
B	CYS290
B	VAL291
B	SER445
B	HOH774
B	HOH850

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 484

Chain	Residue
C	ARG181
C	ASP184
C	ALA214
C	HOH610
C	HOH649
C	HOH781

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES C 485

Chain	Residue
C	TYR112
C	PHE159
C	ARG166
C	GLU256
C	VAL291
C	SER445
C	HOH725
C	HOH836

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 484

Chain	Residue
D	ARG181
D	ALA183
D	ASP184
D	HOH548
D	HOH658
D	HOH820

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES D 485

Chain	Residue
D	TYR112
D	PHE159
D	ARG166
D	THR289
D	CYS290
D	VAL291
D	SER445
D	HOH493

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 484

Chain	Residue
E	ARG181
E	ASP184
E	ALA214
E	HOH614

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MES E 485

Chain	Residue
E	TYR112
E	PHE159
E	ARG166
E	CYS290
E	VAL291
E	SER445
E	HOH612

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 F 484

Chain	Residue
F	ARG181
F	ALA183
F	ASP184
F	ALA214
F	HOH673
F	HOH753
F	HOH840

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MES F 485

Chain	Residue
F	TYR112
F	PHE159
F	MET163
F	ARG166
F	ARG284
F	CYS290
F	VAL291
F	SER445

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 G 484

Chain	Residue
G	ARG181
G	ALA183
G	ASP184
G	ALA214
G	HOH721

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MES G 485

Chain	Residue
G	CYS290
G	VAL291
G	SER445
G	HOH687
G	TYR112
G	PHE159
G	ARG166
G	GLU256
G	ARG284

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 H 484

Chain	Residue
H	ARG181
H	ALA183
H	ASP184
H	HOH622

site_id	BC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE MES H 485

Chain	Residue
H	TYR112
H	PHE159
H	MET163
H	ARG166
H	GLU256
H	ARG284
H	CYS290
H	VAL291
H	SER445
H	HOH489

Functional Information from PROSITE/UniProt

site_id	PS00070
Number of Residues	12
Details	ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. YrNAGQTCVCAN

Chain	Residue	Details
A	TYR283-ASN294

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGNAP

Chain	Residue	Details
A	LEU255-PRO262

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
A	CYS290
A	ASN158
A	GLU256

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
B	CYS290
B	ASN158
B	GLU256

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
C	CYS290
C	ASN158
C	GLU256

site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
D	CYS290
D	ASN158
D	GLU256

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
E	CYS290
E	ASN158
E	GLU256

site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
F	CYS290
F	ASN158
F	GLU256

site_id	CSA7
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
G	CYS290
G	ASN158
G	GLU256

site_id	CSA8
Number of Residues	3
Details	Annotated By Reference To The Literature 1a4s

Chain	Residue	Details
H	CYS290
H	ASN158
H	GLU256

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)