3VDR

Crystal structure of D-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate D-3-hydroxybutyrate and NAD(+)

Replaces:  3EEW

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003858	molecular_function	3-hydroxybutyrate dehydrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0003858	molecular_function	3-hydroxybutyrate dehydrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0003858	molecular_function	3-hydroxybutyrate dehydrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0003858	molecular_function	3-hydroxybutyrate dehydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 301

Chain	Residue
A	ARG260
A	HOH446
A	HOH466
C	VAL147
C	ARG260

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 302

Chain	Residue
A	VAL150
A	LYS219
C	HOH410

---

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD A 303

Chain	Residue
A	THR13
A	SER14
A	GLY15
A	ILE16
A	PHE36
A	ASP63
A	LEU64
A	ASN90
A	ALA91
A	GLY92
A	LEU113
A	ALA141
A	TYR155
A	LYS159
A	PRO185
A	GLY186
A	VAL188
A	THR190
A	PRO191
A	LEU192
A	VAL193
A	3HR305
A	AAE306
C	ASP66
A	GLY11

---

site_id	AC4
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NAI A 304

Chain	Residue
A	GLY11
A	THR13
A	SER14
A	GLY15
A	ILE16
A	PHE36
A	ASP63
A	LEU64
A	ASN90
A	ALA91
A	GLY92
A	LEU113
A	ALA141
A	SER142
A	TYR155
A	LYS159
A	PRO185
A	GLY186
A	VAL188
A	THR190
A	PRO191
A	LEU192
A	VAL193
A	3HR305
A	AAE306
C	ASP66

---

site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3HR A 305

Chain	Residue
A	GLN94
A	SER142
A	HIS144
A	LYS152
A	TYR155
A	TRP187
A	LEU192
A	GLN196
A	TRP257
A	NAD303
A	NAI304

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE AAE A 306

Chain	Residue
A	GLN94
A	SER142
A	HIS144
A	LYS152
A	TYR155
A	GLY186
A	TRP187
A	LEU192
A	GLN196
A	TRP257
A	NAD303
A	NAI304

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CA B 301

Chain	Residue
B	ARG260
D	ARG260
D	HOH402

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 302

Chain	Residue
B	VAL150
B	LYS219

---

site_id	AC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD B 303

Chain	Residue
B	ALA141
B	SER142
B	TYR155
B	LYS159
B	GLY186
B	TRP187
B	VAL188
B	THR190
B	PRO191
B	LEU192
B	VAL193
B	3HR305
B	AAE306
B	GLY11
B	THR13
B	SER14
B	GLY15
B	ILE16
B	PHE36
B	ASP63
B	LEU64
B	ASN90
B	ALA91
B	GLY92
B	LEU113

---

site_id	BC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAI B 304

Chain	Residue
B	GLY11
B	THR13
B	SER14
B	GLY15
B	ILE16
B	PHE36
B	ASP63
B	LEU64
B	ASN90
B	ALA91
B	GLY92
B	LEU113
B	ALA141
B	SER142
B	TYR155
B	LYS159
B	GLY186
B	TRP187
B	VAL188
B	THR190
B	PRO191
B	LEU192
B	VAL193
B	3HR305
B	AAE306

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3HR B 305

Chain	Residue
B	GLN94
B	SER142
B	HIS144
B	LYS152
B	TYR155
B	TRP187
B	GLN196
B	NAD303
B	NAI304

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE AAE B 306

Chain	Residue
B	GLN94
B	SER142
B	HIS144
B	LYS152
B	TYR155
B	TRP187
B	GLN196
B	NAD303
B	NAI304

---

site_id	BC4
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NAD C 301

Chain	Residue
C	GLY11
C	THR13
C	SER14
C	GLY15
C	ILE16
C	PHE36
C	ASP63
C	LEU64
C	ASN90
C	ALA91
C	GLY92
C	LEU113
C	ALA141
C	SER142
C	TYR155
C	LYS159
C	PRO185
C	GLY186
C	TRP187
C	VAL188
C	THR190
C	LEU192
C	VAL193
C	3HR303
C	AAE304
C	HOH404
C	HOH406
C	HOH461

---

site_id	BC5
Number of Residues	28
Details	BINDING SITE FOR RESIDUE NAI C 302

Chain	Residue
C	GLY11
C	THR13
C	SER14
C	GLY15
C	ILE16
C	PHE36
C	ASP63
C	LEU64
C	ASN90
C	ALA91
C	GLY92
C	LEU113
C	ALA141
C	SER142
C	TYR155
C	LYS159
C	PRO185
C	GLY186
C	TRP187
C	VAL188
C	THR190
C	LEU192
C	VAL193
C	3HR303
C	AAE304
C	HOH404
C	HOH406
C	HOH461

---

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 3HR C 303

Chain	Residue
C	GLN94
C	SER142
C	HIS144
C	LYS152
C	TYR155
C	GLN196
C	NAD301
C	NAI302

---

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE AAE C 304

Chain	Residue
C	GLN94
C	SER142
C	HIS144
C	LYS152
C	TYR155
C	GLY186
C	GLN196
C	NAD301
C	NAI302

---

site_id	BC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL D 301

Chain	Residue
D	VAL150
D	LYS219

---

site_id	BC9
Number of Residues	26
Details	BINDING SITE FOR RESIDUE NAD D 302

Chain	Residue
D	GLY11
D	SER12
D	THR13
D	SER14
D	GLY15
D	ILE16
D	PHE36
D	ASP63
D	LEU64
D	ASN90
D	ALA91
D	GLY92
D	LEU113
D	ALA141
D	SER142
D	TYR155
D	LYS159
D	PRO185
D	GLY186
D	TRP187
D	VAL188
D	THR190
D	LEU192
D	VAL193
D	3HR304
D	AAE305

---

site_id	CC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAI D 303

Chain	Residue
D	GLY11
D	THR13
D	SER14
D	GLY15
D	ILE16
D	PHE36
D	ASP63
D	LEU64
D	ASN90
D	ALA91
D	GLY92
D	LEU113
D	ALA141
D	SER142
D	TYR155
D	LYS159
D	PRO185
D	GLY186
D	TRP187
D	VAL188
D	THR190
D	LEU192
D	VAL193
D	3HR304
D	AAE305

---

site_id	CC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 3HR D 304

Chain	Residue
D	GLN94
D	SER142
D	HIS144
D	LYS152
D	TYR155
D	GLN196
D	TRP257
D	NAD302
D	NAI303

---

site_id	CC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE AAE D 305

Chain	Residue
D	GLN94
D	SER142
D	HIS144
D	LYS152
D	TYR155
D	TRP187
D	GLN196
D	TRP257
D	NAD302
D	NAI303

---

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. SahglvasvnKsaYVAAKHGVvGLTkVTA

Chain	Residue	Details
A	SER142-ALA170

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