Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5L2O

Crystal Structure of ALDH1A1 in complex with BUC22

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0001523	biological_process	retinoid metabolic process
A	0001758	molecular_function	retinal dehydrogenase activity
A	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
A	0005096	molecular_function	GTPase activator activity
A	0005497	molecular_function	androgen binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006081	biological_process	cellular aldehyde metabolic process
A	0006629	biological_process	lipid metabolic process
A	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
A	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
A	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
A	0030392	biological_process	fructosamine catabolic process
A	0030424	cellular_component	axon
A	0036438	biological_process	maintenance of lens transparency
A	0042572	biological_process	retinol metabolic process
A	0042995	cellular_component	cell projection
A	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
A	0045202	cellular_component	synapse
A	0051287	molecular_function	NAD binding
A	0070062	cellular_component	extracellular exosome
A	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
A	0110095	biological_process	cellular detoxification of aldehyde
A	0120163	biological_process	negative regulation of cold-induced thermogenesis
B	0000166	molecular_function	nucleotide binding
B	0001523	biological_process	retinoid metabolic process
B	0001758	molecular_function	retinal dehydrogenase activity
B	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
B	0005096	molecular_function	GTPase activator activity
B	0005497	molecular_function	androgen binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006081	biological_process	cellular aldehyde metabolic process
B	0006629	biological_process	lipid metabolic process
B	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
B	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
B	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
B	0030392	biological_process	fructosamine catabolic process
B	0030424	cellular_component	axon
B	0036438	biological_process	maintenance of lens transparency
B	0042572	biological_process	retinol metabolic process
B	0042995	cellular_component	cell projection
B	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
B	0045202	cellular_component	synapse
B	0051287	molecular_function	NAD binding
B	0070062	cellular_component	extracellular exosome
B	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
B	0110095	biological_process	cellular detoxification of aldehyde
B	0120163	biological_process	negative regulation of cold-induced thermogenesis
C	0000166	molecular_function	nucleotide binding
C	0001523	biological_process	retinoid metabolic process
C	0001758	molecular_function	retinal dehydrogenase activity
C	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
C	0005096	molecular_function	GTPase activator activity
C	0005497	molecular_function	androgen binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006081	biological_process	cellular aldehyde metabolic process
C	0006629	biological_process	lipid metabolic process
C	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
C	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
C	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
C	0030392	biological_process	fructosamine catabolic process
C	0030424	cellular_component	axon
C	0036438	biological_process	maintenance of lens transparency
C	0042572	biological_process	retinol metabolic process
C	0042995	cellular_component	cell projection
C	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
C	0045202	cellular_component	synapse
C	0051287	molecular_function	NAD binding
C	0070062	cellular_component	extracellular exosome
C	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
C	0110095	biological_process	cellular detoxification of aldehyde
C	0120163	biological_process	negative regulation of cold-induced thermogenesis
D	0000166	molecular_function	nucleotide binding
D	0001523	biological_process	retinoid metabolic process
D	0001758	molecular_function	retinal dehydrogenase activity
D	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
D	0005096	molecular_function	GTPase activator activity
D	0005497	molecular_function	androgen binding
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006081	biological_process	cellular aldehyde metabolic process
D	0006629	biological_process	lipid metabolic process
D	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
D	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
D	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
D	0030392	biological_process	fructosamine catabolic process
D	0030424	cellular_component	axon
D	0036438	biological_process	maintenance of lens transparency
D	0042572	biological_process	retinol metabolic process
D	0042995	cellular_component	cell projection
D	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
D	0045202	cellular_component	synapse
D	0051287	molecular_function	NAD binding
D	0070062	cellular_component	extracellular exosome
D	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
D	0110095	biological_process	cellular detoxification of aldehyde
D	0120163	biological_process	negative regulation of cold-induced thermogenesis
E	0000166	molecular_function	nucleotide binding
E	0001523	biological_process	retinoid metabolic process
E	0001758	molecular_function	retinal dehydrogenase activity
E	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
E	0005096	molecular_function	GTPase activator activity
E	0005497	molecular_function	androgen binding
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006081	biological_process	cellular aldehyde metabolic process
E	0006629	biological_process	lipid metabolic process
E	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
E	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
E	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
E	0030392	biological_process	fructosamine catabolic process
E	0030424	cellular_component	axon
E	0036438	biological_process	maintenance of lens transparency
E	0042572	biological_process	retinol metabolic process
E	0042995	cellular_component	cell projection
E	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
E	0045202	cellular_component	synapse
E	0051287	molecular_function	NAD binding
E	0070062	cellular_component	extracellular exosome
E	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
E	0110095	biological_process	cellular detoxification of aldehyde
E	0120163	biological_process	negative regulation of cold-induced thermogenesis
F	0000166	molecular_function	nucleotide binding
F	0001523	biological_process	retinoid metabolic process
F	0001758	molecular_function	retinal dehydrogenase activity
F	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
F	0005096	molecular_function	GTPase activator activity
F	0005497	molecular_function	androgen binding
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006081	biological_process	cellular aldehyde metabolic process
F	0006629	biological_process	lipid metabolic process
F	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
F	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
F	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
F	0030392	biological_process	fructosamine catabolic process
F	0030424	cellular_component	axon
F	0036438	biological_process	maintenance of lens transparency
F	0042572	biological_process	retinol metabolic process
F	0042995	cellular_component	cell projection
F	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
F	0045202	cellular_component	synapse
F	0051287	molecular_function	NAD binding
F	0070062	cellular_component	extracellular exosome
F	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
F	0110095	biological_process	cellular detoxification of aldehyde
F	0120163	biological_process	negative regulation of cold-induced thermogenesis
G	0000166	molecular_function	nucleotide binding
G	0001523	biological_process	retinoid metabolic process
G	0001758	molecular_function	retinal dehydrogenase activity
G	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
G	0005096	molecular_function	GTPase activator activity
G	0005497	molecular_function	androgen binding
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0006081	biological_process	cellular aldehyde metabolic process
G	0006629	biological_process	lipid metabolic process
G	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
G	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
G	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
G	0030392	biological_process	fructosamine catabolic process
G	0030424	cellular_component	axon
G	0036438	biological_process	maintenance of lens transparency
G	0042572	biological_process	retinol metabolic process
G	0042995	cellular_component	cell projection
G	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
G	0045202	cellular_component	synapse
G	0051287	molecular_function	NAD binding
G	0070062	cellular_component	extracellular exosome
G	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
G	0110095	biological_process	cellular detoxification of aldehyde
G	0120163	biological_process	negative regulation of cold-induced thermogenesis
H	0000166	molecular_function	nucleotide binding
H	0001523	biological_process	retinoid metabolic process
H	0001758	molecular_function	retinal dehydrogenase activity
H	0004029	molecular_function	aldehyde dehydrogenase (NAD+) activity
H	0005096	molecular_function	GTPase activator activity
H	0005497	molecular_function	androgen binding
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0005829	cellular_component	cytosol
H	0006081	biological_process	cellular aldehyde metabolic process
H	0006629	biological_process	lipid metabolic process
H	0009449	biological_process	gamma-aminobutyric acid biosynthetic 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
H	0018479	molecular_function	benzaldehyde dehydrogenase (NAD+) activity
H	0019145	molecular_function	aminobutyraldehyde dehydrogenase (NAD+) activity
H	0030392	biological_process	fructosamine catabolic process
H	0030424	cellular_component	axon
H	0036438	biological_process	maintenance of lens transparency
H	0042572	biological_process	retinol metabolic process
H	0042995	cellular_component	cell projection
H	0043878	molecular_function	glyceraldehyde-3-phosphate dehydrogenase (NAD+) (non-phosphorylating) activity
H	0045202	cellular_component	synapse
H	0051287	molecular_function	NAD binding
H	0070062	cellular_component	extracellular exosome
H	0106373	molecular_function	3-deoxyglucosone dehydrogenase activity
H	0110095	biological_process	cellular detoxification of aldehyde
H	0120163	biological_process	negative regulation of cold-induced thermogenesis

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue 6ZW A 601

Chain	Residue
A	ILE166
A	GLY226
A	GLY230
A	ALA231
A	SER234
A	VAL250
A	ILE254

site_id	AC2
Number of Residues	6
Details	binding site for residue YB A 602

Chain	Residue
A	HOH907
A	HOH924
G	YB602
G	HOH873
A	GLU46
A	HOH731

site_id	AC3
Number of Residues	5
Details	binding site for residue CL A 603

Chain	Residue
A	ARG143
A	THR155
A	HIS157
B	HOH883
B	HOH921

site_id	AC4
Number of Residues	9
Details	binding site for residue 6ZW B 601

Chain	Residue
B	ILE166
B	GLY226
B	GLY230
B	ALA231
B	SER234
B	VAL250
B	LEU253
B	ILE254
B	HOH899

site_id	AC5
Number of Residues	6
Details	binding site for residue YB B 602

Chain	Residue
B	ASP356
B	GLU359
B	HOH772
B	HOH834
B	HOH925
H	YB602

site_id	AC6
Number of Residues	5
Details	binding site for residue CL B 603

Chain	Residue
A	HOH870
A	HOH904
B	ARG143
B	THR155
B	HIS157

site_id	AC7
Number of Residues	7
Details	binding site for residue 6ZW C 601

Chain	Residue
C	ILE166
C	GLY226
C	GLY230
C	ALA231
C	SER234
C	VAL250
C	ILE254

site_id	AC8
Number of Residues	4
Details	binding site for residue CL C 602

Chain	Residue
C	ARG143
C	THR155
C	HIS157
D	HOH884

site_id	AC9
Number of Residues	8
Details	binding site for residue 6ZW D 601

Chain	Residue
D	ILE166
D	GLY226
D	GLY230
D	ALA231
D	SER234
D	VAL250
D	LEU253
D	ILE254

site_id	AD1
Number of Residues	3
Details	binding site for residue YB D 602

Chain	Residue
D	GLU46
E	YB602
E	HOH939

site_id	AD2
Number of Residues	4
Details	binding site for residue CL D 603

Chain	Residue
C	HOH759
D	ARG143
D	THR155
D	HIS157

site_id	AD3
Number of Residues	8
Details	binding site for residue 6ZW E 601

Chain	Residue
E	ILE166
E	GLY226
E	GLY230
E	ALA231
E	SER234
E	VAL250
E	ILE254
E	HOH816

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

Chain	Residue
D	YB602
E	ASP356
E	GLU359
E	HOH961

site_id	AD5
Number of Residues	2
Details	binding site for residue YB E 603

Chain	Residue
E	HOH946
F	YB602

site_id	AD6
Number of Residues	3
Details	binding site for residue CL E 604

Chain	Residue
E	THR155
E	HIS157
F	HOH845

site_id	AD7
Number of Residues	6
Details	binding site for residue 6ZW F 601

Chain	Residue
F	ILE166
F	GLY226
F	GLY230
F	ALA231
F	SER234
F	VAL250

site_id	AD8
Number of Residues	4
Details	binding site for residue YB F 602

Chain	Residue
E	YB603
E	HOH952
F	GLU48
F	HOH804

site_id	AD9
Number of Residues	4
Details	binding site for residue CL F 603

Chain	Residue
E	HOH887
F	ARG143
F	THR155
F	HIS157

site_id	AE1
Number of Residues	8
Details	binding site for residue 6ZW G 601

Chain	Residue
G	ALA231
G	SER234
G	VAL250
G	ILE254
G	ILE166
G	GLY226
G	PRO227
G	GLY230

site_id	AE2
Number of Residues	5
Details	binding site for residue YB G 602

Chain	Residue
A	YB602
G	ASP356
G	GLU359
G	HOH724
G	HOH873

site_id	AE3
Number of Residues	3
Details	binding site for residue CL G 603

Chain	Residue
G	ARG143
G	THR155
G	HIS157

site_id	AE4
Number of Residues	7
Details	binding site for residue 6ZW H 601

Chain	Residue
H	ILE166
H	GLY226
H	GLY230
H	ALA231
H	SER234
H	VAL250
H	ILE254

site_id	AE5
Number of Residues	5
Details	binding site for residue YB H 602

Chain	Residue
B	YB602
B	HOH925
H	GLU46
H	HOH830
H	HOH853

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

Chain	Residue
G	HOH869
H	ARG143
H	THR155
H	HIS157

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE296-SER307

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

Chain	Residue	Details
A	LEU268-PRO275

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU10007, ECO:0000255\|PROSITE-ProRule:PRU10008, ECO:0000269\|PubMed:3676276

Chain	Residue	Details
A	GLU269
B	GLU269
C	GLU269
D	GLU269
E	GLU269
F	GLU269
G	GLU269
H	GLU269

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Nucleophile => ECO:0000255\|PROSITE-ProRule:PRU10007, ECO:0000255\|PROSITE-ProRule:PRU10008, ECO:0000269\|PubMed:3676276

Chain	Residue	Details
A	CYS303
B	CYS303
C	CYS303
D	CYS303
E	CYS303
F	CYS303
G	CYS303
H	CYS303

site_id	SWS_FT_FI3
Number of Residues	56
Details	BINDING: BINDING => ECO:0000269\|PubMed:25450233, ECO:0000269\|PubMed:25634381, ECO:0007744\|PDB:4WB9, ECO:0007744\|PDB:4X4L

Chain	Residue	Details
A	ILE167
B	GLY226
B	GLY246
B	GLU269
B	GLU349
B	GLU400
C	ILE167
C	LYS193
C	GLY226
C	GLY246
C	GLU269
A	LYS193
C	GLU349
C	GLU400
D	ILE167
D	LYS193
D	GLY226
D	GLY246
D	GLU269
D	GLU349
D	GLU400
E	ILE167
A	GLY226
E	LYS193
E	GLY226
E	GLY246
E	GLU269
E	GLU349
E	GLU400
F	ILE167
F	LYS193
F	GLY226
F	GLY246
A	GLY246
F	GLU269
F	GLU349
F	GLU400
G	ILE167
G	LYS193
G	GLY226
G	GLY246
G	GLU269
G	GLU349
G	GLU400
A	GLU269
H	ILE167
H	LYS193
H	GLY226
H	GLY246
H	GLU269
H	GLU349
H	GLU400
A	GLU349
A	GLU400
B	ILE167
B	LYS193

site_id	SWS_FT_FI4
Number of Residues	8
Details	SITE: Transition state stabilizer => ECO:0000250\|UniProtKB:P20000

Chain	Residue	Details
A	ASN170
B	ASN170
C	ASN170
D	ASN170
E	ASN170
F	ASN170
G	ASN170
H	ASN170

site_id	SWS_FT_FI5
Number of Residues	8
Details	MOD_RES: N-acetylserine => ECO:0000269\|PubMed:6723659, ECO:0007744\|PubMed:22223895

Chain	Residue	Details
A	SER2
B	SER2
C	SER2
D	SER2
E	SER2
F	SER2
G	SER2
H	SER2

site_id	SWS_FT_FI6
Number of Residues	72
Details	MOD_RES: N6-acetyllysine => ECO:0007744\|PubMed:19608861

Chain	Residue	Details
A	LYS91
B	LYS91
B	LYS128
B	LYS252
B	LYS353
B	LYS367
B	LYS410
B	LYS419
B	LYS435
B	LYS495
C	LYS91
A	LYS128
C	LYS128
C	LYS252
C	LYS353
C	LYS367
C	LYS410
C	LYS419
C	LYS435
C	LYS495
D	LYS91
D	LYS128
A	LYS252
D	LYS252
D	LYS353
D	LYS367
D	LYS410
D	LYS419
D	LYS435
D	LYS495
E	LYS91
E	LYS128
E	LYS252
A	LYS353
E	LYS353
E	LYS367
E	LYS410
E	LYS419
E	LYS435
E	LYS495
F	LYS91
F	LYS128
F	LYS252
F	LYS353
A	LYS367
F	LYS367
F	LYS410
F	LYS419
F	LYS435
F	LYS495
G	LYS91
G	LYS128
G	LYS252
G	LYS353
G	LYS367
A	LYS410
G	LYS410
G	LYS419
G	LYS435
G	LYS495
H	LYS91
H	LYS128
H	LYS252
H	LYS353
H	LYS367
H	LYS410
A	LYS419
H	LYS419
H	LYS435
H	LYS495
A	LYS435
A	LYS495

site_id	SWS_FT_FI7
Number of Residues	8
Details	MOD_RES: Phosphothreonine => ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	THR337
B	THR337
C	THR337
D	THR337
E	THR337
F	THR337
G	THR337
H	THR337

site_id	SWS_FT_FI8
Number of Residues	8
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:24275569

Chain	Residue	Details
A	SER413
B	SER413
C	SER413
D	SER413
E	SER413
F	SER413
G	SER413
H	SER413

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