1E6W

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and estradiol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000049	molecular_function	tRNA binding
A	0001540	molecular_function	amyloid-beta binding
A	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
A	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
A	0005496	molecular_function	steroid binding
A	0005739	cellular_component	mitochondrion
A	0005783	cellular_component	endoplasmic reticulum
A	0006550	biological_process	isoleucine catabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0006699	biological_process	bile acid biosynthetic process
A	0007005	biological_process	mitochondrion organization
A	0008033	biological_process	tRNA processing
A	0008202	biological_process	steroid metabolic process
A	0008207	biological_process	C21-steroid hormone metabolic process
A	0008209	biological_process	androgen metabolic process
A	0008210	biological_process	estrogen metabolic process
A	0008584	biological_process	male gonad development
A	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0018454	molecular_function	acetoacetyl-CoA reductase activity
A	0030283	molecular_function	testosterone dehydrogenase [NAD(P)+] activity
A	0030331	molecular_function	nuclear estrogen receptor binding
A	0030678	cellular_component	mitochondrial ribonuclease P complex
A	0033327	biological_process	Leydig cell differentiation
A	0042645	cellular_component	mitochondrial nucleoid
A	0042802	molecular_function	identical protein binding
A	0043527	cellular_component	tRNA methyltransferase complex
A	0044594	molecular_function	17-beta-hydroxysteroid dehydrogenase (NAD+) activity
A	0047015	molecular_function	3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity
A	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
A	0047044	molecular_function	androstan-3-alpha,17-beta-diol dehydrogenase activity
A	0051287	molecular_function	NAD binding
A	0051289	biological_process	protein homotetramerization
A	0062173	biological_process	brexanolone metabolic process
A	0070901	biological_process	mitochondrial tRNA methylation
A	0097745	biological_process	mitochondrial tRNA 5'-end processing
A	0106281	molecular_function	chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity
A	0106282	molecular_function	isoursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
A	0106283	molecular_function	ursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
A	1990180	biological_process	mitochondrial tRNA 3'-end processing
B	0000049	molecular_function	tRNA binding
B	0001540	molecular_function	amyloid-beta binding
B	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
B	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
B	0005496	molecular_function	steroid binding
B	0005739	cellular_component	mitochondrion
B	0005783	cellular_component	endoplasmic reticulum
B	0006550	biological_process	isoleucine catabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0006699	biological_process	bile acid biosynthetic process
B	0007005	biological_process	mitochondrion organization
B	0008033	biological_process	tRNA processing
B	0008202	biological_process	steroid metabolic process
B	0008207	biological_process	C21-steroid hormone metabolic process
B	0008209	biological_process	androgen metabolic process
B	0008210	biological_process	estrogen metabolic process
B	0008584	biological_process	male gonad development
B	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0018454	molecular_function	acetoacetyl-CoA reductase activity
B	0030283	molecular_function	testosterone dehydrogenase [NAD(P)+] activity
B	0030331	molecular_function	nuclear estrogen receptor binding
B	0030678	cellular_component	mitochondrial ribonuclease P complex
B	0033327	biological_process	Leydig cell differentiation
B	0042645	cellular_component	mitochondrial nucleoid
B	0042802	molecular_function	identical protein binding
B	0043527	cellular_component	tRNA methyltransferase complex
B	0044594	molecular_function	17-beta-hydroxysteroid dehydrogenase (NAD+) activity
B	0047015	molecular_function	3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity
B	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
B	0047044	molecular_function	androstan-3-alpha,17-beta-diol dehydrogenase activity
B	0051287	molecular_function	NAD binding
B	0051289	biological_process	protein homotetramerization
B	0062173	biological_process	brexanolone metabolic process
B	0070901	biological_process	mitochondrial tRNA methylation
B	0097745	biological_process	mitochondrial tRNA 5'-end processing
B	0106281	molecular_function	chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity
B	0106282	molecular_function	isoursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
B	0106283	molecular_function	ursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
B	1990180	biological_process	mitochondrial tRNA 3'-end processing
C	0000049	molecular_function	tRNA binding
C	0001540	molecular_function	amyloid-beta binding
C	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
C	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
C	0005496	molecular_function	steroid binding
C	0005739	cellular_component	mitochondrion
C	0005783	cellular_component	endoplasmic reticulum
C	0006550	biological_process	isoleucine catabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0006699	biological_process	bile acid biosynthetic process
C	0007005	biological_process	mitochondrion organization
C	0008033	biological_process	tRNA processing
C	0008202	biological_process	steroid metabolic process
C	0008207	biological_process	C21-steroid hormone metabolic process
C	0008209	biological_process	androgen metabolic process
C	0008210	biological_process	estrogen metabolic process
C	0008584	biological_process	male gonad development
C	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0018454	molecular_function	acetoacetyl-CoA reductase activity
C	0030283	molecular_function	testosterone dehydrogenase [NAD(P)+] activity
C	0030331	molecular_function	nuclear estrogen receptor binding
C	0030678	cellular_component	mitochondrial ribonuclease P complex
C	0033327	biological_process	Leydig cell differentiation
C	0042645	cellular_component	mitochondrial nucleoid
C	0042802	molecular_function	identical protein binding
C	0043527	cellular_component	tRNA methyltransferase complex
C	0044594	molecular_function	17-beta-hydroxysteroid dehydrogenase (NAD+) activity
C	0047015	molecular_function	3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity
C	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
C	0047044	molecular_function	androstan-3-alpha,17-beta-diol dehydrogenase activity
C	0051287	molecular_function	NAD binding
C	0051289	biological_process	protein homotetramerization
C	0062173	biological_process	brexanolone metabolic process
C	0070901	biological_process	mitochondrial tRNA methylation
C	0097745	biological_process	mitochondrial tRNA 5'-end processing
C	0106281	molecular_function	chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity
C	0106282	molecular_function	isoursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
C	0106283	molecular_function	ursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
C	1990180	biological_process	mitochondrial tRNA 3'-end processing
D	0000049	molecular_function	tRNA binding
D	0001540	molecular_function	amyloid-beta binding
D	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
D	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
D	0005496	molecular_function	steroid binding
D	0005739	cellular_component	mitochondrion
D	0005783	cellular_component	endoplasmic reticulum
D	0006550	biological_process	isoleucine catabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006635	biological_process	fatty acid beta-oxidation
D	0006699	biological_process	bile acid biosynthetic process
D	0007005	biological_process	mitochondrion organization
D	0008033	biological_process	tRNA processing
D	0008202	biological_process	steroid metabolic process
D	0008207	biological_process	C21-steroid hormone metabolic process
D	0008209	biological_process	androgen metabolic process
D	0008210	biological_process	estrogen metabolic process
D	0008584	biological_process	male gonad development
D	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0018454	molecular_function	acetoacetyl-CoA reductase activity
D	0030283	molecular_function	testosterone dehydrogenase [NAD(P)+] activity
D	0030331	molecular_function	nuclear estrogen receptor binding
D	0030678	cellular_component	mitochondrial ribonuclease P complex
D	0033327	biological_process	Leydig cell differentiation
D	0042645	cellular_component	mitochondrial nucleoid
D	0042802	molecular_function	identical protein binding
D	0043527	cellular_component	tRNA methyltransferase complex
D	0044594	molecular_function	17-beta-hydroxysteroid dehydrogenase (NAD+) activity
D	0047015	molecular_function	3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity
D	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
D	0047044	molecular_function	androstan-3-alpha,17-beta-diol dehydrogenase activity
D	0051287	molecular_function	NAD binding
D	0051289	biological_process	protein homotetramerization
D	0062173	biological_process	brexanolone metabolic process
D	0070901	biological_process	mitochondrial tRNA methylation
D	0097745	biological_process	mitochondrial tRNA 5'-end processing
D	0106281	molecular_function	chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity
D	0106282	molecular_function	isoursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
D	0106283	molecular_function	ursodeoxycholate 7-beta-dehydrogenase (NAD+) activity
D	1990180	biological_process	mitochondrial tRNA 3'-end processing

Functional Information from PDB Data

site_id	AC1
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	GLY17
A	ALA92
A	GLY93
A	VAL120
A	THR153
A	ALA154
A	TYR168
A	LYS172
A	PRO198
A	GLY199
A	LEU200
A	SER20
A	PHE201
A	THR203
A	PRO204
A	LEU205
A	LEU206
A	HOH459
A	HOH485
A	HOH477
A	HOH423
A	HOH428
A	GLY21
A	HOH441
A	HOH501
A	LEU22
A	ASP41
A	ALA63
A	ASN64
A	VAL65
A	CYS91

---

site_id	AC2
Number of Residues	29
Details	BINDING SITE FOR RESIDUE NAD B 301

Chain	Residue
B	GLY17
B	SER20
B	GLY21
B	LEU22
B	ASP41
B	VAL42
B	ALA63
B	ASN64
B	VAL65
B	CYS91
B	ALA92
B	GLY93
B	VAL120
B	THR153
B	ALA154
B	TYR168
B	LYS172
B	PRO198
B	GLY199
B	LEU200
B	PHE201
B	THR203
B	PRO204
B	LEU205
B	LEU206
B	HOH466
B	HOH484
B	HOH436
B	HOH446

---

site_id	AC3
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD C 301

Chain	Residue
C	GLY17
C	SER20
C	GLY21
C	LEU22
C	ASP41
C	VAL42
C	ALA63
C	ASN64
C	VAL65
C	CYS91
C	ALA92
C	GLY93
C	VAL120
C	THR153
C	ALA154
C	TYR168
C	LYS172
C	PRO198
C	GLY199
C	LEU200
C	PHE201
C	THR203
C	PRO204
C	LEU205
C	HOH432
C	HOH476
C	HOH474
C	HOH481
C	HOH459
C	HOH473
C	EST302

---

site_id	AC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD D 301

Chain	Residue
D	VAL65
D	CYS91
D	ALA92
D	GLY93
D	VAL120
D	THR153
D	ALA154
D	TYR168
D	LYS172
D	PRO198
D	GLY199
D	LEU200
D	PHE201
D	THR203
D	PRO204
D	LEU205
D	HOH476
D	HOH449
D	HOH432
D	HOH469
D	HOH428
D	HOH414
D	HOH450
D	GLY17
D	SER20
D	GLY21
D	LEU22
D	ASP41
D	VAL42
D	ALA63
D	ASN64

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE EST L 350

Chain	Residue
C	ALA95
C	GLN165
C	TYR168
C	LEU206
C	NAD301
C	HOH464
C	HOH462
C	HOH504
C	HOH533

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	SER155-ALA183

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000269|PubMed:11023795

Chain	Residue	Details
A	SER169
B	SER169
C	SER169
D	SER169

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	BINDING: BINDING => ECO:0000250|UniProtKB:Q99714

Chain	Residue	Details
A	GLY21
B	GLY21
B	GLY23
B	VAL42
B	THR66
B	ALA92
B	SER169
B	GLY173
B	ALA202
B	PRO204
C	GLY21
A	GLY23
C	GLY23
C	VAL42
C	THR66
C	ALA92
C	SER169
C	GLY173
C	ALA202
C	PRO204
D	GLY21
D	GLY23
A	VAL42
D	VAL42
D	THR66
D	ALA92
D	SER169
D	GLY173
D	ALA202
D	PRO204
A	THR66
A	ALA92
A	SER169
A	GLY173
A	ALA202
A	PRO204

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:11023795

Chain	Residue	Details
A	VAL156
B	VAL156
C	VAL156
D	VAL156

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N-acetylalanine => ECO:0000250|UniProtKB:Q99714

Chain	Residue	Details
A	ALA3
B	ALA3
C	ALA3
D	ALA3

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:O08756

Chain	Residue	Details
A	LEU54
A	VAL213
B	LEU54
B	VAL213
C	LEU54
C	VAL213
D	LEU54
D	VAL213

---

site_id	SWS_FT_FI6
Number of Residues	12
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:O08756

Chain	Residue	Details
A	GLU70
D	GLU70
D	THR100
D	ASN106
A	THR100
A	ASN106
B	GLU70
B	THR100
B	ASN106
C	GLU70
C	THR100
C	ASN106

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	PHE159

---

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS172
C	GLN165

---

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS172
D	GLN165

---

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS172
A	TYR168

---

site_id	CSA13
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS172
B	TYR168

---

site_id	CSA14
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS172
C	TYR168

---

site_id	CSA15
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS172
D	TYR168

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS172
A	SER155
A	TYR168

---

site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS172
B	SER155
B	TYR168

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS172
A	SER155
A	ASN121
A	TYR168

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS172
B	SER155
B	ASN121
B	TYR168

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
C	LYS172
C	SER155
C	ASN121
C	TYR168

---

site_id	CSA7
Number of Residues	4
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
D	LYS172
D	SER155
D	ASN121
D	TYR168

---

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
A	LYS172
A	GLN165

---

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1eq2

Chain	Residue	Details
B	LYS172
B	GLN165

---