Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6O4H

Structure of ALDH7A1 mutant A171V complexed with NAD

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 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	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
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 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	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
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 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	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
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 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	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
D	0070062	cellular_component	extracellular exosome
E	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
E	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
E	0005515	molecular_function	protein binding
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005739	cellular_component	mitochondrion
E	0005759	cellular_component	mitochondrial matrix
E	0005829	cellular_component	cytosol
E	0006081	biological_process	cellular aldehyde metabolic process
E	0007605	biological_process	sensory perception of sound
E	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
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
E	0019285	biological_process	glycine betaine biosynthetic process from choline
E	0042426	biological_process	choline catabolic process
E	0042802	molecular_function	identical protein binding
E	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
E	0070062	cellular_component	extracellular exosome
F	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
F	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
F	0005515	molecular_function	protein binding
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005739	cellular_component	mitochondrion
F	0005759	cellular_component	mitochondrial matrix
F	0005829	cellular_component	cytosol
F	0006081	biological_process	cellular aldehyde metabolic process
F	0007605	biological_process	sensory perception of sound
F	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
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
F	0019285	biological_process	glycine betaine biosynthetic process from choline
F	0042426	biological_process	choline catabolic process
F	0042802	molecular_function	identical protein binding
F	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
F	0070062	cellular_component	extracellular exosome
G	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
G	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
G	0005515	molecular_function	protein binding
G	0005634	cellular_component	nucleus
G	0005737	cellular_component	cytoplasm
G	0005739	cellular_component	mitochondrion
G	0005759	cellular_component	mitochondrial matrix
G	0005829	cellular_component	cytosol
G	0006081	biological_process	cellular aldehyde metabolic process
G	0007605	biological_process	sensory perception of sound
G	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
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
G	0019285	biological_process	glycine betaine biosynthetic process from choline
G	0042426	biological_process	choline catabolic process
G	0042802	molecular_function	identical protein binding
G	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
G	0070062	cellular_component	extracellular exosome
H	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
H	0004043	molecular_function	L-aminoadipate-semialdehyde dehydrogenase activity
H	0005515	molecular_function	protein binding
H	0005634	cellular_component	nucleus
H	0005737	cellular_component	cytoplasm
H	0005739	cellular_component	mitochondrion
H	0005759	cellular_component	mitochondrial matrix
H	0005829	cellular_component	cytosol
H	0006081	biological_process	cellular aldehyde metabolic process
H	0007605	biological_process	sensory perception of sound
H	0008802	molecular_function	betaine-aldehyde dehydrogenase activity
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
H	0019285	biological_process	glycine betaine biosynthetic process from choline
H	0042426	biological_process	choline catabolic process
H	0042802	molecular_function	identical protein binding
H	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
H	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	27
Details	binding site for residue NAD A 601

Chain	Residue
A	ILE163
A	ALA227
A	GLY230
A	THR231
A	PHE244
A	THR245
A	GLY246
A	SER247
A	VAL250
A	GLU268
A	LEU269
A	THR164
A	GLY270
A	CYS302
A	GLU399
A	PHE401
A	PHE468
A	HOH701
A	HOH706
A	HOH837
A	ALA165
A	PHE166
A	ASN167
A	LYS190
A	GLY191
A	ALA192
A	PRO193

site_id	AC2
Number of Residues	6
Details	binding site for residue EDO B 601

Chain	Residue
B	GLU36
B	GLN54
B	PRO193
B	GLY226
E	SER394
E	HOH708

site_id	AC3
Number of Residues	26
Details	binding site for residue NAD B 602

Chain	Residue
B	ILE163
B	THR164
B	ALA165
B	PHE166
B	ASN167
B	LYS190
B	GLY191
B	ALA192
B	PRO193
B	ALA227
B	GLY230
B	THR231
B	PHE244
B	THR245
B	GLY246
B	SER247
B	VAL250
B	GLU268
B	LEU269
B	GLY270
B	CYS302
B	GLU399
B	PHE401
B	PHE468
B	HOH705
B	HOH744

site_id	AC4
Number of Residues	25
Details	binding site for residue NAD C 601

Chain	Residue
C	ILE163
C	THR164
C	ALA165
C	PHE166
C	ASN167
C	LYS190
C	GLY191
C	ALA192
C	PRO193
C	ALA227
C	GLY230
C	THR231
C	PHE244
C	THR245
C	GLY246
C	SER247
C	VAL250
C	GLU268
C	LEU269
C	GLY270
C	CYS302
C	GLU399
C	PHE401
C	PHE468
C	HOH711

site_id	AC5
Number of Residues	25
Details	binding site for residue NAD D 601

Chain	Residue
D	VAL250
D	GLU268
D	LEU269
D	GLY270
D	CYS302
D	GLU399
D	PHE401
D	PHE468
D	HOH713
D	HOH719
D	ILE163
D	THR164
D	ALA165
D	PHE166
D	ASN167
D	LYS190
D	GLY191
D	ALA192
D	PRO193
D	GLY230
D	THR231
D	PHE244
D	THR245
D	GLY246
D	SER247

site_id	AC6
Number of Residues	26
Details	binding site for residue NAD E 601

Chain	Residue
E	ILE163
E	THR164
E	ALA165
E	PHE166
E	ASN167
E	LYS190
E	GLY191
E	ALA192
E	PRO193
E	ALA227
E	GLY230
E	THR231
E	PHE244
E	THR245
E	GLY246
E	SER247
E	VAL250
E	GLU268
E	LEU269
E	GLY270
E	CYS302
E	GLU399
E	PHE401
E	PHE468
E	HOH703
E	HOH711

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO F 601

Chain	Residue
A	SER394
A	HOH737
F	GLU36
F	GLN54
F	GLY226

site_id	AC8
Number of Residues	27
Details	binding site for residue NAD F 602

Chain	Residue
F	ILE163
F	THR164
F	ALA165
F	PHE166
F	ASN167
F	LYS190
F	GLY191
F	ALA192
F	PRO193
F	ALA227
F	GLY230
F	THR231
F	PHE244
F	THR245
F	GLY246
F	SER247
F	VAL250
F	VAL254
F	GLU268
F	LEU269
F	GLY270
F	CYS302
F	GLU399
F	PHE401
F	PHE468
F	HOH711
F	HOH735

site_id	AC9
Number of Residues	29
Details	binding site for residue NAD G 601

Chain	Residue
G	ILE163
G	THR164
G	ALA165
G	PHE166
G	ASN167
G	LYS190
G	GLY191
G	ALA192
G	PRO193
G	ALA227
G	GLY230
G	THR231
G	PHE244
G	THR245
G	GLY246
G	SER247
G	VAL250
G	GLU268
G	LEU269
G	GLY270
G	CYS302
G	GLU399
G	PHE401
G	LEU427
G	PHE468
G	HOH701
G	HOH707
G	HOH720
G	HOH747

site_id	AD1
Number of Residues	25
Details	binding site for residue NAD H 601

Chain	Residue
H	ILE163
H	THR164
H	ALA165
H	PHE166
H	ASN167
H	LYS190
H	GLY191
H	ALA192
H	PRO193
H	ALA227
H	GLY230
H	THR231
H	PHE244
H	THR245
H	GLY246
H	SER247
H	VAL250
H	GLU268
H	LEU269
H	GLY270
H	CYS302
H	GLU399
H	PHE401
H	PHE468
H	HOH703

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	8
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU10007

Chain	Residue	Details
A	GLU268
B	GLU268
C	GLU268
D	GLU268
E	GLU268
F	GLU268
G	GLU268
H	GLU268

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Nucleophile => ECO:0000269\|PubMed:26260980

Chain	Residue	Details
C	CYS302
D	CYS302
E	CYS302
F	CYS302
G	CYS302
H	CYS302
A	CYS302
B	CYS302

site_id	SWS_FT_FI3
Number of Residues	32
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
C	THR164
C	LYS190
C	GLY230
C	GLY246
D	THR164
D	LYS190
D	GLY230
D	GLY246
E	THR164
E	LYS190
E	GLY230
E	GLY246
F	THR164
F	LYS190
F	GLY230
F	GLY246
G	THR164
G	LYS190
G	GLY230
G	GLY246
H	THR164
H	LYS190
H	GLY230
H	GLY246
A	GLY230
A	GLY246
B	THR164
B	LYS190
B	GLY230
B	GLY246
A	THR164
A	LYS190

site_id	SWS_FT_FI4
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269\|PubMed:20207735, ECO:0000269\|PubMed:26260980, ECO:0007744\|PDB:2J6L, ECO:0007744\|PDB:4X0T

Chain	Residue	Details
E	GLU268
E	GLU399
F	GLU268
F	GLU399
G	GLU268
G	GLU399
H	GLU268
H	GLU399
B	GLU268
B	GLU399
C	GLU268
C	GLU399
D	GLU268
D	GLU399
A	GLU268
A	GLU399

site_id	SWS_FT_FI5
Number of Residues	24
Details	BINDING: BINDING => ECO:0007744\|PDB:4ZUL

Chain	Residue	Details
C	ALA462
D	THR303
D	GLY461
D	ALA462
E	THR303
E	GLY461
E	ALA462
F	THR303
F	GLY461
F	ALA462
G	THR303
G	GLY461
G	ALA462
H	THR303
H	GLY461
H	ALA462
A	ALA462
B	THR303
B	GLY461
B	ALA462
C	THR303
C	GLY461
A	THR303
A	GLY461

site_id	SWS_FT_FI6
Number of Residues	8
Details	SITE: Transition state stabilizer => ECO:0000250

Chain	Residue	Details
E	ASN167
F	ASN167
G	ASN167
H	ASN167
A	ASN167
B	ASN167
C	ASN167
D	ASN167

site_id	SWS_FT_FI7
Number of Residues	8
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
B	LYS66
C	LYS66
D	LYS66
E	LYS66
F	LYS66
G	LYS66
H	LYS66
A	LYS66

site_id	SWS_FT_FI8
Number of Residues	16
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
E	LYS434
E	LYS472
F	LYS434
F	LYS472
G	LYS434
G	LYS472
H	LYS434
H	LYS472
A	LYS434
A	LYS472
B	LYS434
B	LYS472
C	LYS434
C	LYS472
D	LYS434
D	LYS472

site_id	SWS_FT_FI9
Number of Residues	8
Details	MOD_RES: N6-succinyllysine => ECO:0000250\|UniProtKB:Q9DBF1

Chain	Residue	Details
A	LYS509
B	LYS509
C	LYS509
D	LYS509
E	LYS509
F	LYS509
G	LYS509
H	LYS509

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