4GKV

Structure of Escherichia coli AdhP (ethanol-inducible dehydrogenase) with bound NAD

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0006974	biological_process	DNA damage response
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0045471	biological_process	response to ethanol
A	0046187	biological_process	acetaldehyde catabolic process
A	0046872	molecular_function	metal ion binding
A	0047639	molecular_function	alcohol oxidase activity
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0006974	biological_process	DNA damage response
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0045471	biological_process	response to ethanol
B	0046187	biological_process	acetaldehyde catabolic process
B	0046872	molecular_function	metal ion binding
B	0047639	molecular_function	alcohol oxidase activity
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0006974	biological_process	DNA damage response
C	0008270	molecular_function	zinc ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0045471	biological_process	response to ethanol
C	0046187	biological_process	acetaldehyde catabolic process
C	0046872	molecular_function	metal ion binding
C	0047639	molecular_function	alcohol oxidase activity
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0006974	biological_process	DNA damage response
D	0008270	molecular_function	zinc ion binding
D	0016491	molecular_function	oxidoreductase activity
D	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0045471	biological_process	response to ethanol
D	0046187	biological_process	acetaldehyde catabolic process
D	0046872	molecular_function	metal ion binding
D	0047639	molecular_function	alcohol oxidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	32
Details	BINDING SITE FOR RESIDUE NAD A 401

Chain	Residue
A	CYS37
A	LEU173
A	ASP193
A	VAL194
A	GLN198
A	THR235
A	ALA236
A	VAL237
A	VAL258
A	GLY259
A	LEU260
A	HIS38
A	SER282
A	LEU283
A	VAL284
A	MET321
A	ARG329
A	ZN402
A	HOH510
A	HOH528
A	HOH532
A	HOH536
A	THR39
A	HOH668
A	HOH825
D	VAL273
A	HIS42
A	CYS145
A	THR149
A	GLY169
A	GLY171
A	GLY172

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 402

Chain	Residue
A	CYS37
A	HIS58
A	CYS145
A	NAD401
A	HOH509

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 403

Chain	Residue
A	CYS89
A	CYS92
A	CYS95
A	CYS103

---

site_id	AC4
Number of Residues	33
Details	BINDING SITE FOR RESIDUE NAD B 401

Chain	Residue
B	CYS37
B	HIS38
B	THR39
B	HIS42
B	CYS145
B	THR149
B	GLY169
B	GLY171
B	GLY172
B	LEU173
B	ASP193
B	VAL194
B	GLN198
B	THR235
B	ALA236
B	VAL237
B	ALA241
B	VAL258
B	GLY259
B	LEU260
B	SER282
B	LEU283
B	VAL284
B	MET321
B	ARG329
B	ZN402
B	HOH502
B	HOH519
B	HOH543
B	HOH568
B	HOH661
B	HOH941
C	VAL273

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 402

Chain	Residue
B	CYS37
B	HIS58
B	CYS145
B	NAD401
B	HOH932

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 403

Chain	Residue
B	CYS89
B	CYS92
B	CYS95
B	CYS103

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 404

Chain	Residue
B	HIS38
B	HIS42
B	ASN45
B	ASP47
B	HOH626
B	HOH728
B	HOH936

---

site_id	AC8
Number of Residues	36
Details	BINDING SITE FOR RESIDUE NAD C 401

Chain	Residue
C	GLY172
C	LEU173
C	ASP193
C	VAL194
C	GLN198
C	SER213
C	THR235
C	ALA236
C	VAL237
C	ALA238
C	ALA241
C	VAL258
C	GLY259
C	LEU260
C	SER282
C	LEU283
C	VAL284
C	ARG329
C	ZN402
C	HOH510
C	HOH582
C	HOH590
C	HOH607
C	HOH628
C	HOH796
C	HOH906
C	HOH912
B	VAL273
C	CYS37
C	HIS38
C	THR39
C	HIS42
C	CYS145
C	THR149
C	GLY169
C	GLY171

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 402

Chain	Residue
C	CYS37
C	HIS58
C	CYS145
C	NAD401
C	HOH901

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 403

Chain	Residue
C	CYS89
C	CYS92
C	CYS95
C	CYS103

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 404

Chain	Residue
C	HIS38
C	HIS42
C	ASN45
C	ASP47
C	HOH658
C	HOH723
C	HOH873

---

site_id	BC3
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAD D 401

Chain	Residue
A	VAL273
D	HIS38
D	THR39
D	HIS42
D	CYS145
D	THR149
D	GLY169
D	GLY171
D	GLY172
D	LEU173
D	ASP193
D	VAL194
D	GLN198
D	SER213
D	THR235
D	ALA236
D	VAL237
D	ALA238
D	ALA241
D	VAL258
D	GLY259
D	LEU260
D	SER282
D	LEU283
D	VAL284
D	MET321
D	ARG329
D	ZN402
D	HOH525
D	HOH536
D	HOH542
D	HOH595
D	HOH619
D	HOH679
D	HOH710
D	HOH827
D	HOH841

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 402

Chain	Residue
D	CYS37
D	HIS58
D	CYS145
D	NAD401
D	HOH512

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 403

Chain	Residue
D	CYS89
D	CYS92
D	CYS95
D	CYS103

---

site_id	BC6
Number of Residues	18
Details	BINDING SITE FOR CHAIN P OF CLEAVED PEPTIDE FRAGMENT

Chain	Residue
B	GLN223
B	ASP247
B	ARG271
B	HOH590
B	HOH610
C	PHE48
C	GLY49
C	ARG104
C	SER105
C	VAL106
C	ASN108
C	TYR111
P	HOH401
P	HOH402
P	HOH404
P	HOH406
P	HOH407
P	HOH408

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY57-VAL71

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	28
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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