6AA8

Crystal structure of (S)-3-hydroxybutyryl-coenzymeA dehydrogenase from Clostridium acetobutylicum complexed with NAD+

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
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	0019605	biological_process	butyrate metabolic process
A	0044248	biological_process	cellular catabolic process
A	0070403	molecular_function	NAD+ binding
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
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	0019605	biological_process	butyrate metabolic process
B	0044248	biological_process	cellular catabolic process
B	0070403	molecular_function	NAD+ binding
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
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	0019605	biological_process	butyrate metabolic process
C	0044248	biological_process	cellular catabolic process
C	0070403	molecular_function	NAD+ binding
D	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
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	0019605	biological_process	butyrate metabolic process
D	0044248	biological_process	cellular catabolic process
D	0070403	molecular_function	NAD+ binding
E	0006631	biological_process	fatty acid metabolic process
E	0006635	biological_process	fatty acid beta-oxidation
E	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
E	0016491	molecular_function	oxidoreductase activity
E	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
E	0019605	biological_process	butyrate metabolic process
E	0044248	biological_process	cellular catabolic process
E	0070403	molecular_function	NAD+ binding
F	0006631	biological_process	fatty acid metabolic process
F	0006635	biological_process	fatty acid beta-oxidation
F	0008691	molecular_function	3-hydroxybutyryl-CoA dehydrogenase activity
F	0016491	molecular_function	oxidoreductase activity
F	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
F	0019605	biological_process	butyrate metabolic process
F	0044248	biological_process	cellular catabolic process
F	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	binding site for residue NAD E 301

Chain	Residue
E	ILE7
E	ARG39
E	ALA87
E	ALA88
E	GLU90
E	LYS95
E	ILE98
E	ASN115
E	SER117
E	HOH440
F	ILE94
E	GLY8
E	GLY10
E	THR11
E	MET12
E	ARG30
E	ASP31
E	ILE32
E	PHE36

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site_id	AC2
Number of Residues	21
Details	binding site for residue NAD F 301

Chain	Residue
F	ILE7
F	GLY8
F	GLY10
F	THR11
F	MET12
F	ARG30
F	ASP31
F	ILE32
F	PHE36
F	ARG39
F	ALA88
F	GLU90
F	LYS95
F	ILE98
F	ASN115
F	SER117
F	HIS138
F	PHE139
F	ASN141
F	HOH408
F	HOH442

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Functional Information from PROSITE/UniProt

site_id	PS00067
Number of Residues	25
Details	3HCDH 3-hydroxyacyl-CoA dehydrogenase signature. EapGFVvNRiliPMIneavg.ILaeG

Chain	Residue	Details
A	GLU181-GLY205

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	SITE: Important for catalytic activity => ECO:0000250

Chain	Residue	Details
A	HIS138
B	HIS138
C	HIS138
D	HIS138
E	HIS138
F	HIS138

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