1U7T

Crystal Structure of ABAD/HSD10 with a Bound Inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000049	molecular_function	tRNA binding
A	0003723	molecular_function	RNA binding
A	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
A	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)] activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006550	biological_process	isoleucine catabolic process
A	0006629	biological_process	lipid metabolic 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	0006706	biological_process	steroid catabolic 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	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
A	0016491	molecular_function	oxidoreductase activity
A	0030283	molecular_function	testosterone dehydrogenase [NAD(P)] activity
A	0030678	cellular_component	mitochondrial ribonuclease P complex
A	0042645	cellular_component	mitochondrial nucleoid
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	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	0003723	molecular_function	RNA binding
B	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
B	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)] activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006550	biological_process	isoleucine catabolic process
B	0006629	biological_process	lipid metabolic 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	0006706	biological_process	steroid catabolic 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	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
B	0016491	molecular_function	oxidoreductase activity
B	0030283	molecular_function	testosterone dehydrogenase [NAD(P)] activity
B	0030678	cellular_component	mitochondrial ribonuclease P complex
B	0042645	cellular_component	mitochondrial nucleoid
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	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	0003723	molecular_function	RNA binding
C	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
C	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)] activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006550	biological_process	isoleucine catabolic process
C	0006629	biological_process	lipid metabolic 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	0006706	biological_process	steroid catabolic 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	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
C	0016491	molecular_function	oxidoreductase activity
C	0030283	molecular_function	testosterone dehydrogenase [NAD(P)] activity
C	0030678	cellular_component	mitochondrial ribonuclease P complex
C	0042645	cellular_component	mitochondrial nucleoid
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	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	0003723	molecular_function	RNA binding
D	0003857	molecular_function	3-hydroxyacyl-CoA dehydrogenase activity
D	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)] activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005759	cellular_component	mitochondrial matrix
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006550	biological_process	isoleucine catabolic process
D	0006629	biological_process	lipid metabolic 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	0006706	biological_process	steroid catabolic 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	0008709	molecular_function	cholate 7-alpha-dehydrogenase activity
D	0016491	molecular_function	oxidoreductase activity
D	0030283	molecular_function	testosterone dehydrogenase [NAD(P)] activity
D	0030678	cellular_component	mitochondrial ribonuclease P complex
D	0042645	cellular_component	mitochondrial nucleoid
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	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	36
Details	BINDING SITE FOR RESIDUE TDT A 501

Chain	Residue
A	GLY17
A	CYS91
A	ALA92
A	GLY93
A	ALA95
A	VAL96
A	ALA97
A	VAL120
A	THR153
A	ALA154
A	SER155
A	SER20
A	GLN162
A	VAL163
A	GLN165
A	TYR168
A	LYS172
A	PRO198
A	GLY199
A	LEU200
A	PHE201
A	THR203
A	GLY21
A	PRO204
A	LEU205
A	LEU206
A	HOH504
A	HOH530
A	HOH565
A	HOH567
A	LEU22
A	ASP41
A	LEU42
A	ALA63
A	ASP64
A	VAL65

---

site_id	AC2
Number of Residues	27
Details	BINDING SITE FOR RESIDUE NAD B 502

Chain	Residue
B	GLY17
B	SER20
B	GLY21
B	LEU22
B	ASP41
B	LEU42
B	ALA63
B	ASP64
B	VAL65
B	CYS91
B	ALA92
B	GLY93
B	THR153
B	ALA154
B	SER155
B	TYR168
B	LYS172
B	PRO198
B	GLY199
B	PHE201
B	THR203
B	PRO204
B	LEU206
B	HOH506
B	HOH524
B	HOH543
B	HOH551

---

site_id	AC3
Number of Residues	37
Details	BINDING SITE FOR RESIDUE TDT C 503

Chain	Residue
C	HOH556
C	GLY17
C	SER20
C	GLY21
C	LEU22
C	ASP41
C	ALA63
C	ASP64
C	VAL65
C	CYS91
C	ALA92
C	GLY93
C	ALA95
C	ALA97
C	VAL120
C	THR153
C	ALA154
C	SER155
C	GLN162
C	VAL163
C	GLN165
C	TYR168
C	LYS172
C	PRO198
C	GLY199
C	LEU200
C	PHE201
C	THR203
C	PRO204
C	LEU205
C	LEU206
C	LEU209
C	HOH507
C	HOH509
C	HOH538
C	HOH545
C	HOH552

---

site_id	AC4
Number of Residues	37
Details	BINDING SITE FOR RESIDUE TDT D 504

Chain	Residue
D	GLY17
D	SER20
D	GLY21
D	LEU22
D	ASP41
D	LEU42
D	ALA63
D	ASP64
D	VAL65
D	CYS91
D	ALA92
D	GLY93
D	ALA95
D	VAL120
D	THR153
D	ALA154
D	SER155
D	GLN162
D	VAL163
D	GLN165
D	TYR168
D	LYS172
D	PRO198
D	GLY199
D	LEU200
D	PHE201
D	THR203
D	PRO204
D	LEU205
D	SER208
D	LEU209
D	HOH526
D	HOH544
D	HOH561
D	HOH570
D	HOH571
D	HOH575

---

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:15087549

Chain	Residue	Details
A	TYR168
B	TYR168
C	TYR168
D	TYR168

---

site_id	SWS_FT_FI2
Number of Residues	40
Details	BINDING: BINDING => ECO:0000269|PubMed:15342248, ECO:0007744|PDB:1U7T

Chain	Residue	Details
A	SER20
A	THR203
B	SER20
B	LEU22
B	ASP41
B	ASP64
B	VAL65
B	CYS91
B	TYR168
B	LYS172
B	PHE201
A	LEU22
B	THR203
C	SER20
C	LEU22
C	ASP41
C	ASP64
C	VAL65
C	CYS91
C	TYR168
C	LYS172
C	PHE201
A	ASP41
C	THR203
D	SER20
D	LEU22
D	ASP41
D	ASP64
D	VAL65
D	CYS91
D	TYR168
D	LYS172
D	PHE201
A	ASP64
D	THR203
A	VAL65
A	CYS91
A	TYR168
A	LYS172
A	PHE201

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:15087549

Chain	Residue	Details
A	SER155
B	SER155
C	SER155
D	SER155

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	MOD_RES: N-acetylalanine => ECO:0007744|PubMed:25944712

Chain	Residue	Details
A	ALA2
B	ALA2
C	ALA2
D	ALA2

---

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

Chain	Residue	Details
A	LYS53
A	LYS212
B	LYS53
B	LYS212
C	LYS53
C	LYS212
D	LYS53
D	LYS212

---

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

Chain	Residue	Details
A	LYS69
D	LYS69
D	LYS99
D	LYS105
A	LYS99
A	LYS105
B	LYS69
B	LYS99
B	LYS105
C	LYS69
C	LYS99
C	LYS105

---