Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4X0U

Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
A	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005829	cellular_component	cytosol
A	0006081	biological_process	cellular aldehyde metabolic process
A	0007605	biological_process	sensory perception of sound
A	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) activity
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
A	0019285	biological_process	glycine betaine biosynthetic process from choline
A	0042426	biological_process	choline catabolic process
A	0042802	molecular_function	identical protein binding
A	0070062	cellular_component	extracellular exosome
B	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
B	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005829	cellular_component	cytosol
B	0006081	biological_process	cellular aldehyde metabolic process
B	0007605	biological_process	sensory perception of sound
B	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) activity
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
B	0019285	biological_process	glycine betaine biosynthetic process from choline
B	0042426	biological_process	choline catabolic process
B	0042802	molecular_function	identical protein binding
B	0070062	cellular_component	extracellular exosome
C	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
C	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0005829	cellular_component	cytosol
C	0006081	biological_process	cellular aldehyde metabolic process
C	0007605	biological_process	sensory perception of sound
C	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) activity
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
C	0019285	biological_process	glycine betaine biosynthetic process from choline
C	0042426	biological_process	choline catabolic process
C	0042802	molecular_function	identical protein binding
C	0070062	cellular_component	extracellular exosome
D	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
D	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0005829	cellular_component	cytosol
D	0006081	biological_process	cellular aldehyde metabolic process
D	0007605	biological_process	sensory perception of sound
D	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) activity
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
D	0019285	biological_process	glycine betaine biosynthetic process from choline
D	0042426	biological_process	choline catabolic process
D	0042802	molecular_function	identical protein binding
D	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	binding site for residue 3W9 A 601

Chain	Residue
A	PHE168

site_id	AC2
Number of Residues	2
Details	binding site for residue 3W9 B 601

Chain	Residue
B	PHE168
B	PHE468

site_id	AC3
Number of Residues	3
Details	binding site for residue 3W9 C 601

Chain	Residue
C	ASN167
C	PHE168
C	VAL172

site_id	AC4
Number of Residues	3
Details	binding site for residue 3W9 D 601

Chain	Residue
D	ASN167
D	PHE168
D	PHE468

site_id	AC5
Number of Residues	6
Details	binding site for residue MG D 602

Chain	Residue
C	HOH703
C	HOH704
D	GLU121
D	ASP124
D	HOH710
D	HOH839

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU267-ALA274

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU10007

Chain	Residue	Details
A	GLU268
B	GLU268
C	GLU268
D	GLU268

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Nucleophile => ECO:0000269\|PubMed:26260980

Chain	Residue	Details
A	CYS302
B	CYS302
C	CYS302
D	CYS302

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269\|PubMed:20207735, ECO:0000269\|PubMed:26260980, ECO:0007744\|PDB:2J6L, ECO:0007744\|PDB:4X0T, ECO:0007744\|PDB:4ZUK, ECO:0007744\|PDB:4ZVY

Chain	Residue	Details
A	THR164
C	LYS190
C	GLY230
C	GLY246
D	THR164
D	LYS190
D	GLY230
D	GLY246
A	LYS190
A	GLY230
A	GLY246
B	THR164
B	LYS190
B	GLY230
B	GLY246
C	THR164

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:20207735, ECO:0000269\|PubMed:26260980, ECO:0007744\|PDB:2J6L, ECO:0007744\|PDB:4X0T

Chain	Residue	Details
A	GLU268
A	GLU399
B	GLU268
B	GLU399
C	GLU268
C	GLU399
D	GLU268
D	GLU399

site_id	SWS_FT_FI5
Number of Residues	12
Details	BINDING: BINDING => ECO:0007744\|PDB:4ZUL

Chain	Residue	Details
A	THR303
D	THR303
D	GLY461
D	ALA462
A	GLY461
A	ALA462
B	THR303
B	GLY461
B	ALA462
C	THR303
C	GLY461
C	ALA462

site_id	SWS_FT_FI6
Number of Residues	4
Details	SITE: Transition state stabilizer => ECO:0000250

Chain	Residue	Details
A	ASN167
B	ASN167
C	ASN167
D	ASN167

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
A	LYS66
B	LYS66
C	LYS66
D	LYS66

site_id	SWS_FT_FI8
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
A	LYS434
A	LYS472
B	LYS434
B	LYS472
C	LYS434
C	LYS472
D	LYS434
D	LYS472

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: N6-succinyllysine => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
A	LYS509
B	LYS509
C	LYS509
D	LYS509

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