Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1AGN

X-RAY STRUCTURE OF HUMAN SIGMA ALCOHOL DEHYDROGENASE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001523	biological_process	retinoid metabolic process
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0004031	molecular_function	aldehyde oxidase activity
A	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0008270	molecular_function	zinc ion binding
A	0009617	biological_process	response to bacterium
A	0010430	biological_process	fatty acid omega-oxidation
A	0016491	molecular_function	oxidoreductase activity
A	0019841	molecular_function	retinol binding
A	0032787	biological_process	monocarboxylic acid metabolic process
A	0035276	molecular_function	ethanol binding
A	0042572	biological_process	retinol metabolic process
A	0042573	biological_process	retinoic acid metabolic process
A	0045471	biological_process	response to ethanol
A	0046872	molecular_function	metal ion binding
A	0048019	molecular_function	receptor antagonist activity
A	0050153	molecular_function	omega-hydroxydecanoate dehydrogenase activity
B	0001523	biological_process	retinoid metabolic process
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0004031	molecular_function	aldehyde oxidase activity
B	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0008270	molecular_function	zinc ion binding
B	0009617	biological_process	response to bacterium
B	0010430	biological_process	fatty acid omega-oxidation
B	0016491	molecular_function	oxidoreductase activity
B	0019841	molecular_function	retinol binding
B	0032787	biological_process	monocarboxylic acid metabolic process
B	0035276	molecular_function	ethanol binding
B	0042572	biological_process	retinol metabolic process
B	0042573	biological_process	retinoic acid metabolic process
B	0045471	biological_process	response to ethanol
B	0046872	molecular_function	metal ion binding
B	0048019	molecular_function	receptor antagonist activity
B	0050153	molecular_function	omega-hydroxydecanoate dehydrogenase activity
C	0001523	biological_process	retinoid metabolic process
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0004031	molecular_function	aldehyde oxidase activity
C	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0008270	molecular_function	zinc ion binding
C	0009617	biological_process	response to bacterium
C	0010430	biological_process	fatty acid omega-oxidation
C	0016491	molecular_function	oxidoreductase activity
C	0019841	molecular_function	retinol binding
C	0032787	biological_process	monocarboxylic acid metabolic process
C	0035276	molecular_function	ethanol binding
C	0042572	biological_process	retinol metabolic process
C	0042573	biological_process	retinoic acid metabolic process
C	0045471	biological_process	response to ethanol
C	0046872	molecular_function	metal ion binding
C	0048019	molecular_function	receptor antagonist activity
C	0050153	molecular_function	omega-hydroxydecanoate dehydrogenase activity
D	0001523	biological_process	retinoid metabolic process
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0004031	molecular_function	aldehyde oxidase activity
D	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0008270	molecular_function	zinc ion binding
D	0009617	biological_process	response to bacterium
D	0010430	biological_process	fatty acid omega-oxidation
D	0016491	molecular_function	oxidoreductase activity
D	0019841	molecular_function	retinol binding
D	0032787	biological_process	monocarboxylic acid metabolic process
D	0035276	molecular_function	ethanol binding
D	0042572	biological_process	retinol metabolic process
D	0042573	biological_process	retinoic acid metabolic process
D	0045471	biological_process	response to ethanol
D	0046872	molecular_function	metal ion binding
D	0048019	molecular_function	receptor antagonist activity
D	0050153	molecular_function	omega-hydroxydecanoate dehydrogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 375

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 376

Chain	Residue
A	CYS46
A	THR48
A	HIS67
A	CYS174
A	NAD377
A	ACT378

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	HIS271
A	NAD377
A	ACT501

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT A 378

Chain	Residue
A	THR48
A	MET141
A	ZN376
A	NAD377

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 501

Chain	Residue
A	HIS271
A	NAD377
A	ZN401

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT A 502

Chain	Residue
A	GLU357
A	GLU360
C	PRO136
C	HIS138

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 375

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 376

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	ACT378

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN B 401

Chain	Residue
B	HIS271
B	NAD377
B	ACT501

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN B 403

Chain	Residue
B	HIS138
D	GLU357
D	GLU360

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 402

Chain	Residue
B	ASP341
B	ACT502
B	ACT503
D	GLU99

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT B 378

Chain	Residue
B	CYS46
B	THR48
B	HIS67
B	PHE93
B	MET141
B	CYS174
B	ZN376
B	NAD377

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT B 501

Chain	Residue
B	HIS271
B	NAD377
B	ZN401

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 503

Chain	Residue
B	ASP341
B	ZN402
D	LYS34
D	GLU99

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT B 502

Chain	Residue
D	GLU99
B	ASP341
B	ZN402

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 375

Chain	Residue
C	CYS97
C	CYS100
C	CYS103
C	CYS111
C	ILE112

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 376

Chain	Residue
C	CYS46
C	THR48
C	HIS67
C	CYS174
C	NAD377

site_id	BC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN C 401

Chain	Residue
C	HIS271
C	NAD377

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 378

Chain	Residue
C	PHE93
C	VAL294
C	NAD377
D	PHE309

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 375

Chain	Residue
D	CYS97
D	CYS100
D	CYS103
D	CYS111

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 376

Chain	Residue
D	CYS46
D	THR48
D	HIS67
D	CYS174
D	ACT378

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN D 401

Chain	Residue
D	HIS271
D	NAD377
D	ACT501

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN D 402

Chain	Residue
A	GLU25
D	GLU252
D	GLU256

site_id	CC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ZN D 403

Chain	Residue
D	HIS138

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT D 378

Chain	Residue
D	THR48
D	MET141
D	VAL294
D	ZN376
D	NAD377

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT D 501

Chain	Residue
D	HIS271
D	NAD377
D	ZN401

site_id	CC9
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD A 377

Chain	Residue
A	CYS46
A	ARG47
A	THR48
A	HIS51
A	CYS174
A	THR178
A	LEU200
A	GLY201
A	GLY202
A	VAL203
A	ASP223
A	LEU224
A	LYS228
A	ILE269
A	GLY270
A	HIS271
A	VAL292
A	GLY293
A	VAL294
A	CYS317
A	PHE319
A	ARG369
A	ZN376
A	ACT378
A	ZN401
A	ACT501
B	PHE309

site_id	DC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD B 377

Chain	Residue
A	PHE309
B	ARG47
B	THR48
B	HIS51
B	CYS174
B	THR178
B	GLY199
B	LEU200
B	GLY201
B	GLY202
B	VAL203
B	ASP223
B	LYS228
B	VAL268
B	ILE269
B	HIS271
B	VAL292
B	VAL294
B	CYS317
B	VAL318
B	PHE319
B	ARG369
B	ACT378
B	ZN401
B	ACT501

site_id	DC2
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD C 377

Chain	Residue
C	ARG47
C	THR48
C	HIS51
C	CYS174
C	THR178
C	LEU200
C	GLY201
C	GLY202
C	VAL203
C	ASP223
C	ASN225
C	LYS228
C	ILE269
C	VAL292
C	GLY293
C	VAL294
C	CYS317
C	PHE319
C	ARG369
C	ZN376
C	ACT378
C	ZN401
D	PHE309

site_id	DC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD D 377

Chain	Residue
C	PHE309
D	ARG47
D	THR48
D	HIS51
D	THR178
D	LEU200
D	GLY201
D	GLY202
D	VAL203
D	ASP223
D	LEU224
D	LYS228
D	ILE269
D	HIS271
D	VAL292
D	GLY293
D	VAL294
D	CYS317
D	VAL318
D	PHE319
D	ARG369
D	ACT378
D	ZN401
D	ACT501

site_id	ZN1
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111
A	ZN375

site_id	ZN2
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
A	ACT378
A	CYS46
A	HIS67
A	CYS174
A	ZN376

site_id	ZN3
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111
B	ZN375

site_id	ZN4
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	ZN376
B	ACT378

site_id	ZN5
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111
A	ZN375

site_id	ZN6
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	ZN376
A	ACT378

site_id	ZN7
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111
B	ZN375

site_id	ZN8
Number of Residues	5
Details	ZINC BINDING SITE

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	ZN376
B	ACT378

Functional Information from PROSITE/UniProt

site_id	PS00059
Number of Residues	15
Details	ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEaTGIvesiGegV

Chain	Residue	Details
A	GLY66-VAL80

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	100
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10631979","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AGN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D1S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D1T","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
A	THR48
A	ARG47

site_id	CSA10
Number of Residues	1
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
B	MET57

site_id	CSA11
Number of Residues	1
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
C	MET57

site_id	CSA12
Number of Residues	1
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
D	MET57

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
B	THR48
B	ARG47

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
C	THR48
C	ARG47

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
D	THR48
D	ARG47

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
A	THR48
A	HIS51

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
B	THR48
B	HIS51

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
C	THR48
C	HIS51

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
D	THR48
D	HIS51

site_id	CSA9
Number of Residues	1
Details	Annotated By Reference To The Literature 1teh

Chain	Residue	Details
A	MET57

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