1BXZ

CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008270	molecular_function	zinc ion binding
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0050009	molecular_function	isopropanol dehydrogenase (NADP+) activity
B	0008270	molecular_function	zinc ion binding
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0050009	molecular_function	isopropanol dehydrogenase (NADP+) activity
C	0008270	molecular_function	zinc ion binding
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
C	0050009	molecular_function	isopropanol dehydrogenase (NADP+) activity
D	0008270	molecular_function	zinc ion binding
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding
D	0050009	molecular_function	isopropanol dehydrogenase (NADP+) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 354

Chain	Residue
A	CYS37
A	THR38
A	LYS346

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site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 355

Chain	Residue
A	ARG193
A	LYS234

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site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 356

Chain	Residue
A	ASP307
A	HOH504

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site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 354

Chain	Residue
B	GLU60
B	LYS346
B	CYS37
B	THR38

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site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 355

Chain	Residue
B	ARG193
B	LYS234

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site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG B 356

Chain	Residue
B	ASP307

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site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 354

Chain	Residue
C	PRO36
C	CYS37
C	THR38
C	GLU60
C	LYS346

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site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL C 355

Chain	Residue
A	HOH504
C	ARG193

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site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG C 356

Chain	Residue
C	ASP307

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site_id	BC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN D 354

Chain	Residue
D	CYS37
D	THR38

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 355

Chain	Residue
D	ARG193

---

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG D 356

Chain	Residue
D	ASP307

---

site_id	BC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SBT A 353

Chain	Residue
A	ASP150

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site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SBT B 353

Chain	Residue
B	HIS59
B	ASP150

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site_id	BC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SBT C 353

Chain	Residue
C	ASP150

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site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SBT D 353

Chain	Residue
D	HIS59
D	ASP150

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	GLY58-VAL72

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20102159","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9836873","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9836873","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1qlh

Chain	Residue	Details
A	HIS42
A	SER39

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site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1qlh

Chain	Residue	Details
B	HIS42
B	SER39

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

Chain	Residue	Details
C	HIS42
C	SER39

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

Chain	Residue	Details
D	HIS42
D	SER39

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