5VL0

horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue ZN A 401

Chain	Residue
A	CYS46
A	HIS67
A	CYS174
A	NAI403
A	BNF404

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 402

Chain	Residue
A	CYS97
A	CYS100
A	CYS103
A	CYS111

---

site_id	AC3
Number of Residues	31
Details	binding site for residue NAI A 403

Chain	Residue
A	ARG47
A	SER48
A	HIS51
A	CYS174
A	THR178
A	GLY199
A	GLY201
A	GLY202
A	VAL203
A	ASP223
A	ILE224
A	LYS228
A	VAL268
A	ILE269
A	ARG271
A	VAL292
A	GLY293
A	VAL294
A	ALA317
A	ILE318
A	PHE319
A	ARG369
A	ZN401
A	BNF404
A	HOH503
A	HOH519
A	HOH590
A	HOH604
A	HOH673
A	HOH688
A	HOH698

---

site_id	AC4
Number of Residues	10
Details	binding site for residue BNF A 404

Chain	Residue
A	CYS46
A	SER48
A	HIS67
A	PHE93
A	LEU116
A	CYS174
A	ILE318
A	ZN401
A	NAI403
B	LEU309

---

site_id	AC5
Number of Residues	5
Details	binding site for residue ZN B 401

Chain	Residue
B	CYS46
B	HIS67
B	CYS174
B	NAI403
B	BNF404

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN B 402

Chain	Residue
B	CYS97
B	CYS100
B	CYS103
B	CYS111

---

site_id	AC7
Number of Residues	31
Details	binding site for residue NAI B 403

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	GLY293
B	VAL294
B	ALA317
B	ILE318
B	PHE319
B	ARG369
B	ZN401
B	BNF404
B	HOH523
B	HOH589
B	HOH605
B	HOH612
B	HOH622
B	HOH663
B	HOH701

---

site_id	AC8
Number of Residues	9
Details	binding site for residue BNF B 404

Chain	Residue
A	LEU309
B	CYS46
B	SER48
B	HIS67
B	PHE93
B	CYS174
B	ILE318
B	ZN401
B	NAI403

---

site_id	AC9
Number of Residues	5
Details	binding site for residue MRD B 405

Chain	Residue
B	ARG218
B	THR238
B	GLU239
C	ARG218
C	GLU239

---

site_id	AD1
Number of Residues	5
Details	binding site for residue ZN C 401

Chain	Residue
C	CYS46
C	HIS67
C	CYS174
C	NAI403
C	BNF404

---

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN C 402

Chain	Residue
C	CYS97
C	CYS100
C	CYS103
C	CYS111

---

site_id	AD3
Number of Residues	31
Details	binding site for residue NAI C 403

Chain	Residue
C	ARG47
C	SER48
C	HIS51
C	CYS174
C	THR178
C	GLY199
C	GLY201
C	GLY202
C	VAL203
C	ASP223
C	ILE224
C	VAL268
C	ILE269
C	ARG271
C	VAL292
C	GLY293
C	VAL294
C	ALA317
C	ILE318
C	PHE319
C	ARG369
C	ZN401
C	BNF404
C	HOH512
C	HOH599
C	HOH604
C	HOH623
C	HOH640
C	HOH658
C	HOH720
C	HOH747

---

site_id	AD4
Number of Residues	10
Details	binding site for residue BNF C 404

Chain	Residue
C	CYS46
C	SER48
C	HIS67
C	PHE93
C	LEU116
C	CYS174
C	ILE318
C	ZN401
C	NAI403
D	LEU309

---

site_id	AD5
Number of Residues	3
Details	binding site for residue MRD C 405

Chain	Residue
C	LYS338
C	LYS339
C	PHE340

---

site_id	AD6
Number of Residues	5
Details	binding site for residue ZN D 401

Chain	Residue
D	CYS46
D	HIS67
D	CYS174
D	NAI403
D	BNF404

---

site_id	AD7
Number of Residues	4
Details	binding site for residue ZN D 402

Chain	Residue
D	CYS97
D	CYS100
D	CYS103
D	CYS111

---

site_id	AD8
Number of Residues	30
Details	binding site for residue NAI D 403

Chain	Residue
D	ARG47
D	SER48
D	HIS51
D	CYS174
D	THR178
D	GLY199
D	GLY201
D	GLY202
D	VAL203
D	ASP223
D	ILE224
D	LYS228
D	VAL268
D	ILE269
D	ARG271
D	VAL292
D	VAL294
D	ALA317
D	ILE318
D	PHE319
D	ARG369
D	ZN401
D	BNF404
D	HOH527
D	HOH538
D	HOH607
D	HOH617
D	HOH637
D	HOH684
D	HOH725

---

site_id	AD9
Number of Residues	10
Details	binding site for residue BNF D 404

Chain	Residue
C	LEU309
D	CYS46
D	SER48
D	HIS67
D	PHE93
D	CYS174
D	VAL294
D	ILE318
D	ZN401
D	NAI403

---

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	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: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	CYS46
A	HIS67
B	CYS46
B	HIS67
C	CYS46
C	HIS67
D	CYS46
D	HIS67

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000250|UniProtKB:P06525

Chain	Residue	Details
A	SER48
D	SER48
D	VAL292
D	PHE319
A	VAL292
A	PHE319
B	SER48
B	VAL292
B	PHE319
C	SER48
C	VAL292
C	PHE319

---

site_id	SWS_FT_FI3
Number of Residues	16
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	CYS97
C	CYS100
C	CYS103
C	CYS111
D	CYS97
D	CYS100
D	CYS103
D	CYS111
A	CYS100
A	CYS103
A	CYS111
B	CYS97
B	CYS100
B	CYS103
B	CYS111
C	CYS97

---

site_id	SWS_FT_FI4
Number of Residues	4
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	CYS174
B	CYS174
C	CYS174
D	CYS174

---

site_id	SWS_FT_FI5
Number of Residues	4
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	GLY199
B	GLY199
C	GLY199
D	GLY199

---

site_id	SWS_FT_FI6
Number of Residues	4
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	ASP223
B	ASP223
C	ASP223
D	ASP223

---

site_id	SWS_FT_FI7
Number of Residues	4
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	LYS228
B	LYS228
C	LYS228
D	LYS228

---

site_id	SWS_FT_FI8
Number of Residues	4
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	ARG369
B	ARG369
C	ARG369
D	ARG369

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: N-acetylserine => ECO:0000269|PubMed:5466062

Chain	Residue	Details
A	SER1
B	SER1
C	SER1
D	SER1

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
A	CYS46	metal ligand
A	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	HIS67	metal ligand
A	CYS174	metal ligand

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
B	CYS46	metal ligand
B	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	HIS67	metal ligand
B	CYS174	metal ligand

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
C	CYS46	metal ligand
C	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	HIS67	metal ligand
C	CYS174	metal ligand

---

site_id	MCSA4
Number of Residues	5
Details	M-CSA 256

Chain	Residue	Details
D	CYS46	metal ligand
D	SER48	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	HIS51	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	HIS67	metal ligand
D	CYS174	metal ligand

---