4DYD

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	21
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	GLY11
A	PRO94
A	GLU95
A	LEU99
A	LYS100
A	ILE103
A	ASN120
A	SER121
A	SER122
A	HIS143
A	PHE144
A	THR12
A	ARG256
A	HOH408
A	GLY13
A	VAL14
A	LEU15
A	ASP34
A	ILE35
A	ALA92
A	VAL93

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 302

Chain	Residue
A	SER76
A	ASP77
A	ASP78
A	GLN81

---

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

Chain	Residue
A	GLY225

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	GLU234
A	ARG282

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 305

Chain	Residue
A	LEU201
A	ASP202
A	PHE236
A	ALA244
A	ILE247
A	SER248

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 306

Chain	Residue
A	THR37
A	ASP77
A	LYS106

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 307

Chain	Residue
A	PHE25
A	GLY277
A	TYR283

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 308

Chain	Residue
A	THR160
A	LYS161
A	GOL309

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 309

Chain	Residue
A	THR159
A	THR160
A	LYS185
A	LYS186
A	GLU187
A	GOL308

---

site_id	BC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE GOL A 310

Chain	Residue
A	ALA113

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 311

Chain	Residue
A	HIS26
A	GLY27

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 312

Chain	Residue
A	GLY240
A	LEU241
A	THR242
A	THR243
A	LYS263
A	LEU272
A	HOH416
A	HOH432

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 A 313

Chain	Residue
A	VAL14
A	GLN18
A	LYS56
A	ASN146
A	HIS147

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 314

Chain	Residue
A	LEU40
A	ASP41
A	TYR75

---