3OX4

Structures of iron-dependent alcohol dehydrogenase 2 from Zymomonas mobilis ZM4 complexed with NAD cofactor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NAD A 1385

Chain	Residue
A	ASP39
A	THR142
A	PHE149
A	ILE151
A	LEU179
A	GLY182
A	MET183
A	LEU187
A	HIS277
A	HOH431
A	HOH457
A	PHE41
A	FE2501
A	ASN71
A	PRO72
A	GLY97
A	GLY98
A	SER99
A	THR138
A	THR139

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 A 501

Chain	Residue
A	ASP194
A	HIS198
A	HIS263
A	HIS277
A	NAD1385

---

site_id	AC3
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD B 1385

Chain	Residue
B	ASP39
B	PHE41
B	MET42
B	ASN71
B	PRO72
B	GLY97
B	GLY98
B	SER99
B	PRO100
B	ASP102
B	THR138
B	THR139
B	THR142
B	SER144
B	THR147
B	PHE149
B	LEU179
B	GLY182
B	MET183
B	PRO184
B	LEU187
B	PHE254
B	HIS277
B	HOH396
B	HOH428
B	HOH463
B	HOH475
B	FE2501
B	HOH527

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 B 501

Chain	Residue
B	ASP194
B	HIS198
B	HIS263
B	HIS277
B	NAD1385

---

site_id	AC5
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD C 1385

Chain	Residue
C	ASP39
C	PHE41
C	MET42
C	ASN71
C	PRO72
C	GLY97
C	GLY98
C	SER99
C	ASP102
C	THR138
C	THR139
C	THR142
C	LEU179
C	GLY182
C	MET183
C	PRO184
C	LEU187
C	ASP194
C	HIS198
C	HIS267
C	HIS277
C	HOH461
C	FE2501
C	HOH554

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 C 501

Chain	Residue
C	ASP194
C	HIS198
C	HIS263
C	HIS277
C	ASN281
C	NAD1385

---

site_id	AC7
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD D 1385

Chain	Residue
D	LYS160
D	LEU179
D	GLY182
D	MET183
D	PRO184
D	LEU187
D	THR191
D	HIS198
D	HIS267
D	HIS277
D	HOH388
D	HOH480
D	FE2501
D	ASP39
D	PHE41
D	ASN71
D	GLY97
D	GLY98
D	SER99
D	PRO100
D	THR138
D	THR139
D	THR142

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 D 501

Chain	Residue
D	ASP194
D	HIS198
D	HIS263
D	HIS277
D	NAD1385

---

Functional Information from PROSITE/UniProt

site_id	PS00060
Number of Residues	21
Details	ADH_IRON_2 Iron-containing alcohol dehydrogenases signature 2. GyVHamAHqLGGyynLpHGvC

Chain	Residue	Details
A	GLY260-CYS280

---

site_id	PS00913
Number of Residues	29
Details	ADH_IRON_1 Iron-containing alcohol dehydrogenases signature 1. SVnDpllmvgmPkgltAaTgmDALthafE

Chain	Residue	Details
A	SER173-GLU201

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	56
Details	BINDING: BINDING => ECO:0000269|PubMed:21295587, ECO:0007744|PDB:3OX4

Chain	Residue	Details
A	ASP39
A	LEU179
A	GLY182
A	MET183
A	HIS267
A	HIS277
B	ASP39
B	ASN71
B	GLY98
B	SER99
B	THR138
A	ASN71
B	THR139
B	THR147
B	PHE149
B	LYS160
B	LEU179
B	GLY182
B	MET183
B	HIS267
B	HIS277
C	ASP39
A	GLY98
C	ASN71
C	GLY98
C	SER99
C	THR138
C	THR139
C	THR147
C	PHE149
C	LYS160
C	LEU179
C	GLY182
A	SER99
C	MET183
C	HIS267
C	HIS277
D	ASP39
D	ASN71
D	GLY98
D	SER99
D	THR138
D	THR139
D	THR147
A	THR138
D	PHE149
D	LYS160
D	LEU179
D	GLY182
D	MET183
D	HIS267
D	HIS277
A	THR139
A	THR147
A	PHE149
A	LYS160

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:21295587, ECO:0007744|PDB:3OWO, ECO:0007744|PDB:3OX4

Chain	Residue	Details
A	ASP194
D	ASP194
D	HIS198
D	HIS263
A	HIS198
A	HIS263
B	ASP194
B	HIS198
B	HIS263
C	ASP194
C	HIS198
C	HIS263

---