3IP1

Structure of putative alcohol dehydrogenase (TM_042) from Thermotoga maritima

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006020	biological_process	inositol metabolic process
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0006020	biological_process	inositol metabolic process
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0006020	biological_process	inositol metabolic process
C	0008270	molecular_function	zinc ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0006020	biological_process	inositol metabolic process
D	0008270	molecular_function	zinc ion binding
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 500

Chain	Residue
A	CYS131
A	CYS134
A	CYS137
A	CYS145

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CD A 501

Chain	Residue
A	HOH680
A	HOH684
A	CYS66
A	HIS95
A	GLU96
A	GLU193
A	HOH679

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 502

Chain	Residue
A	PHE141
A	ASN143
A	HIS144
A	HIS345
D	ARG333

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD B 500

Chain	Residue
B	CYS131
B	CYS134
B	CYS137
B	CYS145

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CD B 501

Chain	Residue
B	CYS66
B	HIS95
B	GLU96
B	GLU193
B	HOH514
B	HOH645
B	HOH685

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL B 502

Chain	Residue
B	PHE141
B	ASN143
B	HIS345
C	ARG333

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 503

Chain	Residue
B	ILE65
B	GLY67
B	PRO222
B	VAL388
B	LYS389
B	VAL390

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD C 500

Chain	Residue
C	CYS131
C	CYS134
C	CYS137
C	CYS145

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CD C 501

Chain	Residue
C	CYS66
C	HIS95
C	GLU96
C	GLU193
C	HOH516
C	HOH681
C	HOH686

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL C 502

Chain	Residue
B	ARG333
C	PHE141
C	ASN143
C	HIS144
C	HIS345

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD D 500

Chain	Residue
D	CYS131
D	GLY132
D	CYS134
D	CYS137
D	CYS145

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CD D 501

Chain	Residue
D	CYS66
D	HIS95
D	GLU96
D	GLU193
D	HOH682
D	HOH683

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL D 502

Chain	Residue
A	ARG333
D	PHE141
D	ASN143
D	HIS144
D	HIS345

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY94-ALA108

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Charge relay system => ECO:0000250|UniProtKB:O58389

Chain	Residue	Details
A	SER68
A	HIS71
B	SER68
B	HIS71
C	SER68
C	HIS71
D	SER68
D	HIS71

---

site_id	SWS_FT_FI2
Number of Residues	32
Details	BINDING: BINDING => ECO:0000305|Ref.3, ECO:0007744|PDB:3IP1

Chain	Residue	Details
A	CYS66
B	CYS134
B	CYS137
B	CYS145
B	GLU193
C	CYS66
C	HIS95
C	GLU96
C	CYS131
C	CYS134
C	CYS137
C	CYS145
C	GLU193
D	CYS66
D	HIS95
D	GLU96
D	CYS131
D	CYS134
D	CYS137
D	CYS145
D	GLU193
A	HIS95
A	GLU96
A	CYS131
A	CYS134
A	CYS137
A	CYS145
A	GLU193
B	CYS66
B	HIS95
B	GLU96
B	CYS131

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000250|UniProtKB:O58389

Chain	Residue	Details
B	GLU243
B	ARG248
C	ILE223
C	GLU243
C	ARG248
D	ILE223
D	GLU243
D	ARG248
A	ILE223
A	GLU243
A	ARG248
B	ILE223

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