4E13

Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003857	molecular_function	(3S)-3-hydroxyacyl-CoA dehydrogenase (NAD+) activity
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
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	0070403	molecular_function	NAD+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	GLY11
A	GLU95
A	LEU99
A	LYS100
A	ASN120
A	SER121
A	SER122
A	HIS143
A	PHE144
A	ARG256
A	GOL302
A	THR12
A	1PE306
A	GLY13
A	VAL14
A	LEU15
A	ASP34
A	ILE35
A	VAL93
A	PRO94

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site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 302

Chain	Residue
A	THR12
A	ASP34
A	ALA39
A	ALA42
A	ARG46
A	PRO253
A	ARG256
A	NAD301

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site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	GLY225

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site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	GLU234
A	TYR281
A	ARG282

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site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 305

Chain	Residue
A	ARG74
A	GLN81
A	ALA82
A	VAL83
A	LYS84
A	ASP85
A	ALA86

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site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 1PE A 306

Chain	Residue
A	SER122
A	LEU201
A	ASP202
A	VAL239
A	SER248
A	NAD301

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site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 307

Chain	Residue
A	GLY240
A	LEU241
A	THR242
A	THR243
A	LYS263
A	LEU272
A	HOH426

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