Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6O4E

Structure of ALDH7A1 mutant N167S 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	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	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	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	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
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	aldehyde metabolic process
E	0007605	biological_process	sensory perception of sound
E	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	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	aldehyde metabolic process
F	0007605	biological_process	sensory perception of sound
F	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	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	aldehyde metabolic process
G	0007605	biological_process	sensory perception of sound
G	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	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	aldehyde metabolic process
H	0007605	biological_process	sensory perception of sound
H	0008802	molecular_function	betaine-aldehyde dehydrogenase (NAD+) 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	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	29
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	HOH705
A	HOH706
A	HOH747
A	HOH818
A	ALA165
A	PHE166
A	SER167
A	LYS190
A	GLY191
A	ALA192
A	PRO193

site_id	AC2
Number of Residues	5
Details	binding site for residue PG4 A 602

Chain	Residue
A	ARG68
A	TRP71
A	GLU237
A	ASN240
A	HOH906

site_id	AC3
Number of Residues	32
Details	binding site for residue NAD B 601

Chain	Residue
B	ILE163
B	THR164
B	ALA165
B	PHE166
B	SER167
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	MG603
B	HOH718
B	HOH721
B	HOH823
B	HOH830
B	HOH844
B	HOH848
B	HOH856

site_id	AC4
Number of Residues	7
Details	binding site for residue 1PE B 602

Chain	Residue
B	ARG68
B	TRP71
B	GLY158
B	GLU237
B	ASN240
B	HOH804
B	HOH824

site_id	AC5
Number of Residues	5
Details	binding site for residue MG B 603

Chain	Residue
B	NAD601
B	HOH823
B	HOH848
B	HOH856
B	HOH931

site_id	AC6
Number of Residues	30
Details	binding site for residue NAD C 601

Chain	Residue
C	CYS302
C	GLU399
C	PHE401
C	PHE468
C	MG603
C	HOH708
C	HOH726
C	HOH775
C	HOH906
C	ILE163
C	THR164
C	ALA165
C	PHE166
C	SER167
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	VAL254
C	GLU268
C	LEU269
C	GLY270

site_id	AC7
Number of Residues	6
Details	binding site for residue 1PE C 602

Chain	Residue
C	ARG68
C	TRP71
C	VAL157
C	GLU237
C	ASN240
C	HOH753

site_id	AC8
Number of Residues	2
Details	binding site for residue MG C 603

Chain	Residue
C	NAD601
C	HOH906

site_id	AC9
Number of Residues	30
Details	binding site for residue NAD D 601

Chain	Residue
D	ILE163
D	THR164
D	ALA165
D	PHE166
D	SER167
D	LYS190
D	GLY191
D	ALA192
D	PRO193
D	ALA227
D	GLY230
D	THR231
D	PHE244
D	THR245
D	GLY246
D	SER247
D	VAL250
D	VAL254
D	GLU268
D	LEU269
D	GLY270
D	CYS302
D	GLU399
D	PHE401
D	PHE468
D	MG603
D	HOH711
D	HOH721
D	HOH748
D	HOH783

site_id	AD1
Number of Residues	5
Details	binding site for residue PG4 D 602

Chain	Residue
D	ARG68
D	TRP71
D	GLU237
D	ASN240
D	HOH874

site_id	AD2
Number of Residues	2
Details	binding site for residue MG D 603

Chain	Residue
D	NAD601
D	HOH783

site_id	AD3
Number of Residues	28
Details	binding site for residue NAD E 601

Chain	Residue
E	ILE163
E	THR164
E	ALA165
E	PHE166
E	SER167
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	HOH711
E	HOH731
E	HOH777
E	HOH802

site_id	AD4
Number of Residues	4
Details	binding site for residue PG4 E 602

Chain	Residue
E	ARG68
E	TRP71
E	GLU237
E	ASN240

site_id	AD5
Number of Residues	32
Details	binding site for residue NAD F 601

Chain	Residue
F	ILE163
F	THR164
F	ALA165
F	PHE166
F	SER167
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	GLU268
F	LEU269
F	GLY270
F	CYS302
F	GLU399
F	PHE401
F	PHE468
F	MG603
F	HOH713
F	HOH714
F	HOH748
F	HOH754
F	HOH761
F	HOH877
F	HOH889

site_id	AD6
Number of Residues	8
Details	binding site for residue P6G F 602

Chain	Residue
F	LYS65
F	ARG68
F	TRP71
F	VAL157
F	GLY158
F	GLU237
F	ARG238
F	ASN240

site_id	AD7
Number of Residues	4
Details	binding site for residue MG F 603

Chain	Residue
F	NAD601
F	HOH754
F	HOH877
F	HOH889

site_id	AD8
Number of Residues	32
Details	binding site for residue NAD G 601

Chain	Residue
G	ILE163
G	THR164
G	ALA165
G	PHE166
G	SER167
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	PHE468
G	MG603
G	HOH703
G	HOH714
G	HOH715
G	HOH771
G	HOH776
G	HOH927
G	HOH937

site_id	AD9
Number of Residues	4
Details	binding site for residue 1PE G 602

Chain	Residue
G	ARG68
G	TRP71
G	GLU237
G	ASN240

site_id	AE1
Number of Residues	5
Details	binding site for residue MG G 603

Chain	Residue
G	NAD601
G	HOH771
G	HOH927
G	HOH937
G	HOH946

site_id	AE2
Number of Residues	28
Details	binding site for residue NAD H 601

Chain	Residue
H	ILE163
H	THR164
H	ALA165
H	PHE166
H	SER167
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	MG603
H	HOH712
H	HOH731
H	HOH761

site_id	AE3
Number of Residues	6
Details	binding site for residue 1PE H 602

Chain	Residue
H	ARG68
H	GLU69
H	TRP71
H	GLU237
H	ASN240
H	HOH709

site_id	AE4
Number of Residues	2
Details	binding site for residue MG H 603

Chain	Residue
H	NAD601
H	HOH935

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
A	CYS302
B	CYS302
C	CYS302
D	CYS302
E	CYS302
F	CYS302
G	CYS302
H	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
A	THR164
C	LYS190
C	GLY230
C	GLY246
D	THR164
D	LYS190
D	GLY230
D	GLY246
E	THR164
E	LYS190
E	GLY230
A	LYS190
E	GLY246
F	THR164
F	LYS190
F	GLY230
F	GLY246
G	THR164
G	LYS190
G	GLY230
G	GLY246
H	THR164
A	GLY230
H	LYS190
H	GLY230
H	GLY246
A	GLY246
B	THR164
B	LYS190
B	GLY230
B	GLY246
C	THR164

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
A	GLU268
E	GLU399
F	GLU268
F	GLU399
G	GLU268
G	GLU399
H	GLU268
H	GLU399
A	GLU399
B	GLU268
B	GLU399
C	GLU268
C	GLU399
D	GLU268
D	GLU399
E	GLU268

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

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

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

Chain	Residue	Details
A	SER167
B	SER167
C	SER167
D	SER167
E	SER167
F	SER167
G	SER167
H	SER167

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

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

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

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

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)