Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1HLD

STRUCTURES OF HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH NAD+ AND SUBSTITUTED BENZYL ALCOHOLS

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0004024	molecular_function	alcohol dehydrogenase (NAD+) activity, zinc-dependent
A	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0042572	biological_process	retinol metabolic process
A	0042573	biological_process	retinoic acid metabolic process
A	0046872	molecular_function	metal ion binding
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0004024	molecular_function	alcohol dehydrogenase (NAD+) activity, zinc-dependent
B	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0042572	biological_process	retinol metabolic process
B	0042573	biological_process	retinoic acid metabolic process
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 375

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	NAD801
A	PFB1001
A	BRB1003

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 376

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 775

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	NAD901
B	PFB1002
B	BRB1004

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 776

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

site_id	AC5
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD A 801

Chain	Residue
A	VAL268
A	ILE269
A	ARG271
A	VAL292
A	GLY293
A	VAL294
A	ALA317
A	ILE318
A	PHE319
A	LEU362
A	ARG369
A	ZN375
A	PFB1001
A	BRB1003
A	HOH2100
A	HOH2106
A	HOH2134
A	HOH2135
A	HOH2395
A	ARG47
A	SER48
A	HIS51
A	CYS174
A	THR178
A	GLY199
A	LEU200
A	GLY201
A	GLY202
A	VAL203
A	ASP223
A	ILE224
A	LYS228

site_id	AC6
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD B 901

Chain	Residue
B	ARG47
B	SER48
B	HIS51
B	CYS174
B	THR178
B	GLY199
B	GLY201
B	GLY202
B	VAL203
B	ASP223
B	ILE224
B	LYS228
B	VAL268
B	ILE269
B	ARG271
B	VAL292
B	VAL294
B	ALA317
B	ILE318
B	PHE319
B	ARG369
B	ZN775
B	PFB1002
B	BRB1004
B	HOH2027
B	HOH2028
B	HOH2030
B	HOH2033
B	HOH2367

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PFB A 1001

Chain	Residue
A	CYS46
A	SER48
A	LEU57
A	HIS67
A	PHE93
A	PHE140
A	LEU141
A	CYS174
A	VAL294
A	ZN375
A	NAD801
A	BRB1003
A	HOH2140

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE PFB B 1002

Chain	Residue
B	CYS46
B	SER48
B	LEU57
B	HIS67
B	PHE93
B	LEU116
B	PHE140
B	LEU141
B	CYS174
B	VAL294
B	ILE318
B	ZN775
B	NAD901
B	BRB1004

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BRB A 1003

Chain	Residue
A	SER48
A	HIS67
A	CYS174
A	VAL294
A	ZN375
A	NAD801
A	PFB1001
A	HOH2140

site_id	BC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE BRB B 1004

Chain	Residue
B	CYS46
B	SER48
B	HIS67
B	LEU116
B	CYS174
B	VAL294
B	ZN775
B	NAD901
B	PFB1002
B	HOH2057

site_id	BRB
Number of Residues	9
Details

Chain	Residue
B	ZN775
B	SER48
B	NAD901
B	VAL294
B	PHE93
B	LEU57
B	LEU116
B	HIS67
B	LEU141

site_id	NDA
Number of Residues	16
Details

Chain	Residue
A	ARG47
A	ILE269
A	ARG271
A	VAL294
A	PRO296
A	ALA317
A	PHE319
A	ARG369
A	SER48
A	HIS51
A	THR178
A	GLY199
A	GLY202
A	ASP223
A	ILE224
A	LYS228

site_id	NDB
Number of Residues	16
Details

Chain	Residue
B	ARG47
B	SER48
B	HIS51
B	THR178
B	GLY199
B	GLY202
B	ASP223
B	ILE224
B	LYS228
B	ILE269
B	ARG271
B	VAL294
B	PRO296
B	ALA317
B	PHE319
B	ARG369

site_id	PFB
Number of Residues	9
Details

Chain	Residue
A	ZN375
A	SER48
A	NAD801
A	VAL294
A	PHE93
A	LEU57
A	LEU116
A	HIS67
A	LEU141

site_id	ZCA
Number of Residues	4
Details

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	ZN375

site_id	ZCB
Number of Residues	4
Details

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	ZN775

site_id	ZSA
Number of Residues	4
Details

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111

site_id	ZSB
Number of Residues	4
Details

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY66-VAL80

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0000269\|PubMed:178875, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
A	ARG47
A	GLU68
B	ARG47
B	GLU68

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P06525

Chain	Residue	Details
A	ASP49
A	GLY293
A	GLY320
B	ASP49
B	GLY293
B	GLY320

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0000269\|PubMed:178875, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
A	GLY98
A	ARG101
A	LYS104
A	LEU112
B	GLY98
B	ARG101
B	LYS104
B	LEU112

site_id	SWS_FT_FI4
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1A72, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1ADC, ECO:0007744\|PDB:1ADF, ECO:0007744\|PDB:1ADG, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QLJ, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:1YE3, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH, ECO:0007744\|PDB:7ADH, ECO:0007744\|PDB:8ADH

Chain	Residue	Details
A	GLY175
B	GLY175

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	LEU200
B	LEU200

site_id	SWS_FT_FI6
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	ILE224
B	ILE224

site_id	SWS_FT_FI7
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1JU9, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1QLH, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:5ADH, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	PHE229
B	PHE229

site_id	SWS_FT_FI8
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269\|PubMed:15299346, ECO:0007744\|PDB:1A71, ECO:0007744\|PDB:1ADB, ECO:0007744\|PDB:1AXE, ECO:0007744\|PDB:1AXG, ECO:0007744\|PDB:1BTO, ECO:0007744\|PDB:1HET, ECO:0007744\|PDB:1HEU, ECO:0007744\|PDB:1HF3, ECO:0007744\|PDB:1HLD, ECO:0007744\|PDB:1LDE, ECO:0007744\|PDB:1LDY, ECO:0007744\|PDB:1MG0, ECO:0007744\|PDB:1MGO, ECO:0007744\|PDB:1N8K, ECO:0007744\|PDB:1N92, ECO:0007744\|PDB:1P1R, ECO:0007744\|PDB:1QV6, ECO:0007744\|PDB:1QV7, ECO:0007744\|PDB:2JHF, ECO:0007744\|PDB:2JHG, ECO:0007744\|PDB:2OHX, ECO:0007744\|PDB:2OXI, ECO:0007744\|PDB:3BTO, ECO:0007744\|PDB:3OQ6, ECO:0007744\|PDB:4DWV, ECO:0007744\|PDB:4DXH, ECO:0007744\|PDB:4NFH, ECO:0007744\|PDB:4NFS, ECO:0007744\|PDB:4NG5, ECO:0007744\|PDB:4XD2, ECO:0007744\|PDB:6ADH

Chain	Residue	Details
A	THR370
B	THR370

site_id	SWS_FT_FI9
Number of Residues	2
Details	MOD_RES: N-acetylserine => ECO:0000269\|PubMed:5466062

Chain	Residue	Details
A	THR2
B	THR2

Catalytic Information from CSA

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

Chain	Residue	Details
A	LEU57

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

Chain	Residue	Details
B	LEU57

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

Chain	Residue	Details
A	SER48
A	HIS51

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

Chain	Residue	Details
B	SER48
B	HIS51

site_id	MCSA1
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
A	ARG47	metal ligand
A	ASP49	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	VAL52	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	GLU68	metal ligand
A	GLY175	metal ligand

site_id	MCSA2
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
B	ARG47	metal ligand
B	ASP49	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	VAL52	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	GLU68	metal ligand
B	GLY175	metal ligand

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)