Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1D1T

MUTANT OF HUMAN SIGMA ALCOHOL DEHYDROGENASE WITH LEUCINE AT POSITION 141

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	5
Details	BINDING SITE FOR RESIDUE ZN A 376

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	ACT501
A	NAD1377

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 375

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 376

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	ACT506
B	NAD2377

site_id	AC5
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	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN C 376

Chain	Residue
C	CYS46
C	THR48
C	HIS67
C	CYS174
C	ACT505
C	NAD3377

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

Chain	Residue
D	CYS97
D	CYS100
D	CYS103
D	CYS111

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 376

Chain	Residue
D	CYS46
D	HIS67
D	CYS174
D	ACT511
D	NAD4377

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	HIS271
A	ACT504
A	HOH749
A	NAD1377

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 402

Chain	Residue
A	HIS138
A	ACT502
A	ACT513

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 403

Chain	Residue
B	HIS271
B	ACT507
B	HOH735
B	NAD2377

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 404

Chain	Residue
B	HIS138
B	HOH725
D	GLU357
D	GLU360

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 405

Chain	Residue
B	ASP341
D	GLU99
D	ACT508
D	ACT509

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 406

Chain	Residue
B	GLU16
B	CAC991
B	CAC992
B	CAC993

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 407

Chain	Residue
C	HIS271
C	ACT510
C	HOH771
C	NAD3377

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 408

Chain	Residue
A	GLU357
A	GLU360
A	HOH793
C	HIS138

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 409

Chain	Residue
D	HIS271
D	ACT512
D	HOH780
D	NAD4377

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 410

Chain	Residue
D	HIS138
D	ACT514
D	HOH693
D	HOH867

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 411

Chain	Residue
B	CAC991
B	CAC992
B	CAC993
D	HIS348

site_id	CC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE ACT A 501

Chain	Residue
A	CYS46
A	THR48
A	HIS67
A	PHE93
A	LEU141
A	CYS174
A	VAL294
A	ZN376
A	HOH912
A	NAD1377

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT A 502

Chain	Residue
A	LYS60
A	HIS138
A	ZN402
A	ACT513

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 504

Chain	Residue
A	LEU224
A	ZN401
A	NAD1377

site_id	CC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACT C 505

Chain	Residue
C	THR48
C	HIS67
C	PHE93
C	CYS174
C	VAL294
C	ZN376
C	NAD3377
C	CYS46

site_id	CC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACT B 506

Chain	Residue
B	THR48
B	HIS67
B	PHE93
B	LEU141
B	CYS174
B	ZN376
B	NAD2377

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 507

Chain	Residue
A	ZN403
B	LEU224
B	HIS271
B	HOH735
B	NAD2377

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT D 508

Chain	Residue
B	ZN405
D	GLU99
D	ARG113
D	ACT509

site_id	CC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT D 509

Chain	Residue
B	ASP341
B	ZN405
D	LYS34
D	GLU99
D	ACT508

site_id	DC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT C 510

Chain	Residue
C	HIS271
C	ZN407
C	NAD3377

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 511

Chain	Residue
D	THR48
D	HIS67
D	LEU141
D	CYS174
D	ZN376
D	NAD4377

site_id	DC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT D 512

Chain	Residue
D	HIS271
D	ZN409

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT A 513

Chain	Residue
A	HIS138
A	ZN402
A	ACT502

site_id	DC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT D 514

Chain	Residue
D	HIS138
D	ZN410
D	HOH693

site_id	DC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE CAC B 991

Chain	Residue
B	GLU16
B	PHE61
B	PRO62
B	ZN406
B	CAC992
B	CAC993
D	HIS348
D	GLN366
D	ZN411
D	HOH983

site_id	DC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CAC B 992

Chain	Residue
B	GLU16
B	ZN406
B	CAC991
B	CAC993
D	HIS348
D	ZN411

site_id	DC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CAC B 993

Chain	Residue
B	GLU16
B	ZN406
B	CAC991
B	CAC992
D	HIS348
D	ZN411

site_id	DC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CAC A 994

Chain	Residue
A	MET233
A	ALA237
A	HOH889

site_id	EC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CAC B 995

Chain	Residue
A	GLY259
A	ASN260
B	CYS100
B	ASN101
B	ILE112
B	HOH613

site_id	EC2
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD A 1377

Chain	Residue
A	ARG47
A	THR48
A	HIS51
A	CYS174
A	THR178
A	GLY201
A	GLY202
A	VAL203
A	ASP223
A	LEU224
A	LYS228
A	VAL268
A	ILE269
A	GLY270
A	HIS271
A	VAL292
A	GLY293
A	VAL294
A	CYS317
A	PHE319
A	ARG369
A	ZN376
A	ZN401
A	ACT501
A	ACT504
A	HOH623
A	HOH901
A	HOH911
B	PHE309

site_id	EC3
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD B 2377

Chain	Residue
A	PHE309
A	ZN403
B	ARG47
B	THR48
B	HIS51
B	CYS174
B	THR178
B	GLY201
B	GLY202
B	VAL203
B	ASP223
B	LEU224
B	LYS228
B	VAL268
B	ILE269
B	HIS271
B	VAL292
B	GLY293
B	VAL294
B	CYS317
B	VAL318
B	PHE319
B	ARG369
B	ZN376
B	ACT506
B	ACT507
B	HOH697
B	HOH897
B	HOH900

site_id	EC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD C 3377

Chain	Residue
C	ARG47
C	THR48
C	HIS51
C	CYS174
C	THR178
C	GLY199
C	LEU200
C	GLY201
C	GLY202
C	VAL203
C	ASP223
C	LEU224
C	LYS228
C	ILE269
C	HIS271
C	VAL292
C	GLY293
C	VAL294
C	CYS317
C	VAL318
C	PHE319
C	ARG369
C	ZN376
C	ZN407
C	ACT505
C	ACT510
C	HOH770
C	HOH771
C	HOH845
C	HOH846
D	PHE309

site_id	EC5
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD D 4377

Chain	Residue
C	PHE309
D	ARG47
D	THR48
D	HIS51
D	CYS174
D	THR178
D	GLY199
D	LEU200
D	GLY201
D	GLY202
D	VAL203
D	ASP223
D	LEU224
D	LYS228
D	VAL268
D	ILE269
D	HIS271
D	VAL292
D	GLY293
D	VAL294
D	CYS317
D	PHE319
D	ARG369
D	ZN376
D	ZN409
D	ACT511
D	HOH737
D	HOH859
D	HOH960

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)