Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6O4B

Structure of ALDH7A1 mutant W175G 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	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	HOH722
A	HOH723
A	HOH769
A	ALA165
A	PHE166
A	ASN167
A	LYS190
A	GLY191
A	ALA192
A	PRO193

site_id	AC2
Number of Residues	3
Details	binding site for residue CL A 602

Chain	Residue
A	GLN511
B	VAL287
B	ARG321

site_id	AC3
Number of Residues	3
Details	binding site for residue CL A 603

Chain	Residue
A	VAL287
A	ARG321
B	GLN511

site_id	AC4
Number of Residues	4
Details	binding site for residue PG4 A 604

Chain	Residue
A	ARG68
A	TRP71
A	GLU237
A	ASN240

site_id	AC5
Number of Residues	2
Details	binding site for residue PGE A 605

Chain	Residue
A	GLU121
A	PHE468

site_id	AC6
Number of Residues	4
Details	binding site for residue PGE A 606

Chain	Residue
A	MET135
A	SER482
B	LEU141
C	MET135

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 607

Chain	Residue
A	THR194
A	THR346
A	HOH743

site_id	AC8
Number of Residues	27
Details	binding site for residue NAD B 601

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	HOH703
B	HOH705
B	HOH808

site_id	AC9
Number of Residues	4
Details	binding site for residue PG4 B 602

Chain	Residue
B	ARG68
B	TRP71
B	ASN240
B	HOH862

site_id	AD1
Number of Residues	1
Details	binding site for residue PGE B 603

Chain	Residue
B	GLU121

site_id	AD2
Number of Residues	30
Details	binding site for residue NAD C 601

Chain	Residue
C	CYS302
C	GLU399
C	PHE401
C	PHE468
C	HOH720
C	HOH725
C	HOH727
C	HOH771
C	HOH783
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	VAL254
C	GLU268
C	LEU269
C	GLY270

site_id	AD3
Number of Residues	4
Details	binding site for residue CL C 602

Chain	Residue
C	VAL287
C	ARG321
D	PHE510
D	GLN511

site_id	AD4
Number of Residues	1
Details	binding site for residue PGE C 603

Chain	Residue
C	GLU121

site_id	AD5
Number of Residues	2
Details	binding site for residue EDO C 604

Chain	Residue
C	GLU312
C	LYS409

site_id	AD6
Number of Residues	5
Details	binding site for residue 1PE C 605

Chain	Residue
C	ARG68
C	TRP71
C	GLU237
C	ASN240
C	HOH838

site_id	AD7
Number of Residues	28
Details	binding site for residue NAD D 601

Chain	Residue
D	ILE163
D	THR164
D	ALA165
D	PHE166
D	ASN167
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	HOH701
D	HOH714
D	HOH733

site_id	AD8
Number of Residues	3
Details	binding site for residue CL D 602

Chain	Residue
C	PHE510
C	GLN511
D	ARG321

site_id	AD9
Number of Residues	3
Details	binding site for residue PG4 D 603

Chain	Residue
D	ARG68
D	TRP71
D	ASN240

site_id	AE1
Number of Residues	3
Details	binding site for residue PGE D 604

Chain	Residue
D	GLU121
D	PHE468
D	GLU479

site_id	AE2
Number of Residues	2
Details	binding site for residue EDO D 605

Chain	Residue
D	TRP13
D	SER102

site_id	AE3
Number of Residues	3
Details	binding site for residue EDO D 606

Chain	Residue
C	HOH818
D	GLY475
D	GLY476

site_id	AE4
Number of Residues	28
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	HOH726
E	HOH727
E	HOH759
E	HOH845

site_id	AE5
Number of Residues	3
Details	binding site for residue CL E 602

Chain	Residue
E	GLN511
F	VAL287
F	ARG321

site_id	AE6
Number of Residues	4
Details	binding site for residue CL E 603

Chain	Residue
E	VAL287
E	ARG321
F	PHE510
F	GLN511

site_id	AE7
Number of Residues	4
Details	binding site for residue PG4 E 604

Chain	Residue
E	ARG68
E	TRP71
E	GLU237
E	ASN240

site_id	AE8
Number of Residues	6
Details	binding site for residue PGE E 605

Chain	Residue
E	GLU121
E	VAL172
E	CYS302
E	GLU463
E	ILE464
E	PHE468

site_id	AE9
Number of Residues	5
Details	binding site for residue PGE E 606

Chain	Residue
E	SER482
E	ASP483
E	TRP485
G	MET135
G	PGE606

site_id	AF1
Number of Residues	7
Details	binding site for residue EDO E 607

Chain	Residue
E	ILE136
E	GLY137
E	HOH761
E	HOH780
H	ILE140
H	LEU141
H	PRO142

site_id	AF2
Number of Residues	27
Details	binding site for residue NAD F 601

Chain	Residue
F	ILE163
F	THR164
F	ALA165
F	PHE166
F	ASN167
F	LYS190
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	HOH724
F	HOH742
F	HOH745
F	HOH782

site_id	AF3
Number of Residues	6
Details	binding site for residue PG4 F 602

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

site_id	AF4
Number of Residues	4
Details	binding site for residue PGE F 603

Chain	Residue
F	GLU121
F	VAL172
F	ALA462
F	GLU479

site_id	AF5
Number of Residues	3
Details	binding site for residue PGE F 604

Chain	Residue
E	PRO139
F	LEU132
F	SER482

site_id	AF6
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	PHE468
G	HOH704
G	HOH723
G	HOH727
G	HOH741
G	HOH768

site_id	AF7
Number of Residues	4
Details	binding site for residue CL G 602

Chain	Residue
G	PHE510
G	GLN511
H	ARG321
H	HOH799

site_id	AF8
Number of Residues	5
Details	binding site for residue CL G 603

Chain	Residue
G	VAL287
G	ARG321
G	HOH836
H	PHE510
H	GLN511

site_id	AF9
Number of Residues	1
Details	binding site for residue PGE G 604

Chain	Residue
G	GLU121

site_id	AG1
Number of Residues	2
Details	binding site for residue PGE G 605

Chain	Residue
G	ARG68
G	ASN240

site_id	AG2
Number of Residues	7
Details	binding site for residue PGE G 606

Chain	Residue
E	MET135
E	PGE606
G	LEU132
G	MET135
G	SER482
H	PRO139
H	LEU141

site_id	AG3
Number of Residues	26
Details	binding site for residue NAD H 601

Chain	Residue
H	ILE163
H	THR164
H	ALA165
H	PHE166
H	ASN167
H	LYS190
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
H	HOH711
H	HOH736

site_id	AG4
Number of Residues	8
Details	binding site for residue PG4 H 602

Chain	Residue
H	ARG68
H	GLU69
H	TRP71
H	LYS72
H	VAL157
H	GLU237
H	ASN240
H	HOH774

site_id	AG5
Number of Residues	6
Details	binding site for residue PGE H 603

Chain	Residue
H	GLU121
H	PHE168
H	VAL172
H	PHE468
H	GLU479
H	SER480

site_id	AG6
Number of Residues	9
Details	binding site for residue PGE H 604

Chain	Residue
B	GLY29
B	SER30
B	LYS66
H	TYR326
H	ILE329
H	VAL331
H	TYR369
H	PRO383
H	HOH821

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	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU10007","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"26260980","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	40
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20207735","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26260980","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J6L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4X0T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZUK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZVY","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20207735","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26260980","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2J6L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4X0T","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PDB","id":"4ZUL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	8
Details	Site: {"description":"Transition state stabilizer","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	8
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q9DBF1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	16
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q9DBF1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	8
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q9DBF1","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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