Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4CQL

Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
A	0005515	molecular_function	protein binding
A	0005739	cellular_component	mitochondrion
A	0005740	cellular_component	mitochondrial envelope
A	0005759	cellular_component	mitochondrial matrix
A	0005886	cellular_component	plasma membrane
A	0006633	biological_process	fatty acid biosynthetic process
A	0006694	biological_process	steroid biosynthetic process
A	0006703	biological_process	estrogen biosynthetic process
A	0008209	biological_process	androgen metabolic process
A	0008210	biological_process	estrogen metabolic process
A	0016020	cellular_component	membrane
A	0016491	molecular_function	oxidoreductase activity
A	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
A	0051290	biological_process	protein heterotetramerization
A	0070404	molecular_function	NADH binding
A	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
A	1990204	cellular_component	oxidoreductase complex
B	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
B	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
B	0005515	molecular_function	protein binding
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0006633	biological_process	fatty acid biosynthetic process
B	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
B	0016491	molecular_function	oxidoreductase activity
B	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0044597	biological_process	daunorubicin metabolic process
B	0044598	biological_process	doxorubicin metabolic process
B	0048038	molecular_function	quinone binding
B	0051289	biological_process	protein homotetramerization
B	0051290	biological_process	protein heterotetramerization
B	0055114	biological_process	obsolete oxidation-reduction process
B	0070402	molecular_function	NADPH binding
B	1990204	cellular_component	oxidoreductase complex
C	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
C	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
C	0005515	molecular_function	protein binding
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0006633	biological_process	fatty acid biosynthetic process
C	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
C	0016491	molecular_function	oxidoreductase activity
C	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0044597	biological_process	daunorubicin metabolic process
C	0044598	biological_process	doxorubicin metabolic process
C	0048038	molecular_function	quinone binding
C	0051289	biological_process	protein homotetramerization
C	0051290	biological_process	protein heterotetramerization
C	0055114	biological_process	obsolete oxidation-reduction process
C	0070402	molecular_function	NADPH binding
C	1990204	cellular_component	oxidoreductase complex
D	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
D	0005515	molecular_function	protein binding
D	0005739	cellular_component	mitochondrion
D	0005740	cellular_component	mitochondrial envelope
D	0005759	cellular_component	mitochondrial matrix
D	0005886	cellular_component	plasma membrane
D	0006633	biological_process	fatty acid biosynthetic process
D	0006694	biological_process	steroid biosynthetic process
D	0006703	biological_process	estrogen biosynthetic process
D	0008209	biological_process	androgen metabolic process
D	0008210	biological_process	estrogen metabolic process
D	0016020	cellular_component	membrane
D	0016491	molecular_function	oxidoreductase activity
D	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
D	0051290	biological_process	protein heterotetramerization
D	0070404	molecular_function	NADH binding
D	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
D	1990204	cellular_component	oxidoreductase complex
E	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
E	0005515	molecular_function	protein binding
E	0005739	cellular_component	mitochondrion
E	0005740	cellular_component	mitochondrial envelope
E	0005759	cellular_component	mitochondrial matrix
E	0005886	cellular_component	plasma membrane
E	0006633	biological_process	fatty acid biosynthetic process
E	0006694	biological_process	steroid biosynthetic process
E	0006703	biological_process	estrogen biosynthetic process
E	0008209	biological_process	androgen metabolic process
E	0008210	biological_process	estrogen metabolic process
E	0016020	cellular_component	membrane
E	0016491	molecular_function	oxidoreductase activity
E	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
E	0051290	biological_process	protein heterotetramerization
E	0070404	molecular_function	NADH binding
E	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
E	1990204	cellular_component	oxidoreductase complex
F	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
F	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
F	0005515	molecular_function	protein binding
F	0005739	cellular_component	mitochondrion
F	0005759	cellular_component	mitochondrial matrix
F	0006633	biological_process	fatty acid biosynthetic process
F	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
F	0016491	molecular_function	oxidoreductase activity
F	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
F	0044597	biological_process	daunorubicin metabolic process
F	0044598	biological_process	doxorubicin metabolic process
F	0048038	molecular_function	quinone binding
F	0051289	biological_process	protein homotetramerization
F	0051290	biological_process	protein heterotetramerization
F	0055114	biological_process	obsolete oxidation-reduction process
F	0070402	molecular_function	NADPH binding
F	1990204	cellular_component	oxidoreductase complex
G	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
G	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
G	0005515	molecular_function	protein binding
G	0005739	cellular_component	mitochondrion
G	0005759	cellular_component	mitochondrial matrix
G	0006633	biological_process	fatty acid biosynthetic process
G	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
G	0016491	molecular_function	oxidoreductase activity
G	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
G	0044597	biological_process	daunorubicin metabolic process
G	0044598	biological_process	doxorubicin metabolic process
G	0048038	molecular_function	quinone binding
G	0051289	biological_process	protein homotetramerization
G	0051290	biological_process	protein heterotetramerization
G	0055114	biological_process	obsolete oxidation-reduction process
G	0070402	molecular_function	NADPH binding
G	1990204	cellular_component	oxidoreductase complex
H	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
H	0005515	molecular_function	protein binding
H	0005739	cellular_component	mitochondrion
H	0005740	cellular_component	mitochondrial envelope
H	0005759	cellular_component	mitochondrial matrix
H	0005886	cellular_component	plasma membrane
H	0006633	biological_process	fatty acid biosynthetic process
H	0006694	biological_process	steroid biosynthetic process
H	0006703	biological_process	estrogen biosynthetic process
H	0008209	biological_process	androgen metabolic process
H	0008210	biological_process	estrogen metabolic process
H	0016020	cellular_component	membrane
H	0016491	molecular_function	oxidoreductase activity
H	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
H	0051290	biological_process	protein heterotetramerization
H	0070404	molecular_function	NADH binding
H	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
H	1990204	cellular_component	oxidoreductase complex
I	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
I	0005515	molecular_function	protein binding
I	0005739	cellular_component	mitochondrion
I	0005740	cellular_component	mitochondrial envelope
I	0005759	cellular_component	mitochondrial matrix
I	0005886	cellular_component	plasma membrane
I	0006633	biological_process	fatty acid biosynthetic process
I	0006694	biological_process	steroid biosynthetic process
I	0006703	biological_process	estrogen biosynthetic process
I	0008209	biological_process	androgen metabolic process
I	0008210	biological_process	estrogen metabolic process
I	0016020	cellular_component	membrane
I	0016491	molecular_function	oxidoreductase activity
I	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
I	0051290	biological_process	protein heterotetramerization
I	0070404	molecular_function	NADH binding
I	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
I	1990204	cellular_component	oxidoreductase complex
J	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
J	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
J	0005515	molecular_function	protein binding
J	0005739	cellular_component	mitochondrion
J	0005759	cellular_component	mitochondrial matrix
J	0006633	biological_process	fatty acid biosynthetic process
J	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
J	0016491	molecular_function	oxidoreductase activity
J	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
J	0044597	biological_process	daunorubicin metabolic process
J	0044598	biological_process	doxorubicin metabolic process
J	0048038	molecular_function	quinone binding
J	0051289	biological_process	protein homotetramerization
J	0051290	biological_process	protein heterotetramerization
J	0055114	biological_process	obsolete oxidation-reduction process
J	0070402	molecular_function	NADPH binding
J	1990204	cellular_component	oxidoreductase complex
K	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
K	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
K	0005515	molecular_function	protein binding
K	0005739	cellular_component	mitochondrion
K	0005759	cellular_component	mitochondrial matrix
K	0006633	biological_process	fatty acid biosynthetic process
K	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
K	0016491	molecular_function	oxidoreductase activity
K	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
K	0044597	biological_process	daunorubicin metabolic process
K	0044598	biological_process	doxorubicin metabolic process
K	0048038	molecular_function	quinone binding
K	0051289	biological_process	protein homotetramerization
K	0051290	biological_process	protein heterotetramerization
K	0055114	biological_process	obsolete oxidation-reduction process
K	0070402	molecular_function	NADPH binding
K	1990204	cellular_component	oxidoreductase complex
L	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
L	0005515	molecular_function	protein binding
L	0005739	cellular_component	mitochondrion
L	0005740	cellular_component	mitochondrial envelope
L	0005759	cellular_component	mitochondrial matrix
L	0005886	cellular_component	plasma membrane
L	0006633	biological_process	fatty acid biosynthetic process
L	0006694	biological_process	steroid biosynthetic process
L	0006703	biological_process	estrogen biosynthetic process
L	0008209	biological_process	androgen metabolic process
L	0008210	biological_process	estrogen metabolic process
L	0016020	cellular_component	membrane
L	0016491	molecular_function	oxidoreductase activity
L	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
L	0051290	biological_process	protein heterotetramerization
L	0070404	molecular_function	NADH binding
L	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
L	1990204	cellular_component	oxidoreductase complex
M	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
M	0005515	molecular_function	protein binding
M	0005739	cellular_component	mitochondrion
M	0005740	cellular_component	mitochondrial envelope
M	0005759	cellular_component	mitochondrial matrix
M	0005886	cellular_component	plasma membrane
M	0006633	biological_process	fatty acid biosynthetic process
M	0006694	biological_process	steroid biosynthetic process
M	0006703	biological_process	estrogen biosynthetic process
M	0008209	biological_process	androgen metabolic process
M	0008210	biological_process	estrogen metabolic process
M	0016020	cellular_component	membrane
M	0016491	molecular_function	oxidoreductase activity
M	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
M	0051290	biological_process	protein heterotetramerization
M	0070404	molecular_function	NADH binding
M	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
M	1990204	cellular_component	oxidoreductase complex
N	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
N	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
N	0005515	molecular_function	protein binding
N	0005739	cellular_component	mitochondrion
N	0005759	cellular_component	mitochondrial matrix
N	0006633	biological_process	fatty acid biosynthetic process
N	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
N	0016491	molecular_function	oxidoreductase activity
N	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
N	0044597	biological_process	daunorubicin metabolic process
N	0044598	biological_process	doxorubicin metabolic process
N	0048038	molecular_function	quinone binding
N	0051289	biological_process	protein homotetramerization
N	0051290	biological_process	protein heterotetramerization
N	0055114	biological_process	obsolete oxidation-reduction process
N	0070402	molecular_function	NADPH binding
N	1990204	cellular_component	oxidoreductase complex
O	0003955	molecular_function	NAD(P)H dehydrogenase (quinone) activity
O	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
O	0005515	molecular_function	protein binding
O	0005739	cellular_component	mitochondrion
O	0005759	cellular_component	mitochondrial matrix
O	0006633	biological_process	fatty acid biosynthetic process
O	0008753	molecular_function	NADPH dehydrogenase (quinone) activity
O	0016491	molecular_function	oxidoreductase activity
O	0016616	molecular_function	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
O	0044597	biological_process	daunorubicin metabolic process
O	0044598	biological_process	doxorubicin metabolic process
O	0048038	molecular_function	quinone binding
O	0051289	biological_process	protein homotetramerization
O	0051290	biological_process	protein heterotetramerization
O	0055114	biological_process	obsolete oxidation-reduction process
O	0070402	molecular_function	NADPH binding
O	1990204	cellular_component	oxidoreductase complex
P	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
P	0005515	molecular_function	protein binding
P	0005739	cellular_component	mitochondrion
P	0005740	cellular_component	mitochondrial envelope
P	0005759	cellular_component	mitochondrial matrix
P	0005886	cellular_component	plasma membrane
P	0006633	biological_process	fatty acid biosynthetic process
P	0006694	biological_process	steroid biosynthetic process
P	0006703	biological_process	estrogen biosynthetic process
P	0008209	biological_process	androgen metabolic process
P	0008210	biological_process	estrogen metabolic process
P	0016020	cellular_component	membrane
P	0016491	molecular_function	oxidoreductase activity
P	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
P	0051290	biological_process	protein heterotetramerization
P	0070404	molecular_function	NADH binding
P	0106386	molecular_function	(3R)-hydroxyacyl-CoA dehydrogenase (NAD+) activity
P	1990204	cellular_component	oxidoreductase complex

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD A 301

Chain	Residue
A	GLY18
A	CYS103
A	GLY105
A	ILE106
A	VAL126
A	ILE154
A	SER155
A	SER156
A	TYR169
A	LYS173
A	GLY200
A	SER21
A	ILE202
A	THR204
A	MET206
A	HOH2003
A	GLY22
A	ILE23
A	ASP42
A	LEU43
A	ALA74
A	ASP75
A	VAL76

site_id	AC2
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD D 301

Chain	Residue
D	GLY18
D	SER21
D	GLY22
D	ILE23
D	ASP42
D	LEU43
D	ALA74
D	ASP75
D	VAL76
D	CYS103
D	ALA104
D	GLY105
D	ILE106
D	VAL126
D	ILE154
D	SER156
D	TYR169
D	LYS173
D	PRO199
D	GLY200
D	ILE202
D	THR204
D	MET206
D	THR207

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD E 301

Chain	Residue
E	SER21
E	GLY22
E	ILE23
E	ASP42
E	LEU43
E	ALA74
E	ASP75
E	VAL76
E	CYS103
E	GLY105
E	ILE106
E	VAL126
E	ILE154
E	SER155
E	SER156
E	TYR169
E	LYS173
E	PRO199
E	GLY200
E	ILE202
E	THR204
E	MET206
E	THR207
E	HOH2009
E	HOH2024

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE NAD H 301

Chain	Residue
H	SER21
H	GLY22
H	ILE23
H	ASP42
H	LEU43
H	ALA74
H	ASP75
H	VAL76
H	CYS103
H	GLY105
H	ILE106
H	VAL126
H	ILE154
H	SER156
H	TYR169
H	LYS173
H	PRO199
H	GLY200
H	ILE202
H	THR204

site_id	AC5
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD I 301

Chain	Residue
I	VAL76
I	CYS103
I	ALA104
I	GLY105
I	ILE106
I	VAL126
I	ILE154
I	SER156
I	TYR169
I	LYS173
I	PRO199
I	GLY200
I	ILE202
I	THR204
I	MET206
I	THR207
I	HOH2014
I	SER21
I	GLY22
I	ILE23
I	ASP42
I	LEU43
I	ALA74
I	ASP75

site_id	AC6
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NAD L 301

Chain	Residue
L	SER21
L	GLY22
L	ILE23
L	ASP42
L	LEU43
L	ASP44
L	ALA74
L	ASP75
L	VAL76
L	SER77
L	CYS103
L	ALA104
L	GLY105
L	VAL126
L	ILE154
L	SER155
L	SER156
L	TYR169
L	LYS173
L	PRO199
L	GLY200
L	THR204
L	MET206

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAD M 301

Chain	Residue
M	SER21
M	GLY22
M	ILE23
M	ASP42
M	LEU43
M	ALA74
M	ASP75
M	VAL76
M	SER77
M	CYS103
M	ALA104
M	GLY105
M	ILE106
M	VAL126
M	ILE154
M	SER155
M	TYR169
M	LYS173
M	PRO199
M	GLY200
M	ILE202
M	THR204
M	PRO205
M	MET206
M	HOH2001

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NAD P 301

Chain	Residue
P	SER21
P	GLY22
P	ILE23
P	GLY24
P	ASP42
P	LEU43
P	ALA74
P	ASP75
P	VAL76
P	CYS103
P	ALA104
P	GLY105
P	ILE106
P	VAL126
P	ILE154
P	SER155
P	SER156
P	TYR169
P	LYS173
P	PRO199
P	GLY200
P	ILE202
P	THR204
P	PRO205

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
B	SER135-ALA163
A	SER156-ALA184

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU10001

Chain	Residue	Details
B	TYR148
C	TYR148
F	TYR148
G	TYR148
J	TYR148
K	TYR148
N	TYR148
O	TYR148

site_id	SWS_FT_FI2
Number of Residues	56
Details	BINDING: BINDING => ECO:0000269\|PubMed:25203508, ECO:0007744\|PDB:4CQM

Chain	Residue	Details
B	SER11
C	ASP56
C	ALA83
C	TYR148
C	LYS152
C	VAL181
F	SER11
F	ARG34
F	ASP56
F	ALA83
F	TYR148
B	ARG34
F	LYS152
F	VAL181
G	SER11
G	ARG34
G	ASP56
G	ALA83
G	TYR148
G	LYS152
G	VAL181
J	SER11
B	ASP56
J	ARG34
J	ASP56
J	ALA83
J	TYR148
J	LYS152
J	VAL181
K	SER11
K	ARG34
K	ASP56
K	ALA83
B	ALA83
K	TYR148
K	LYS152
K	VAL181
N	SER11
N	ARG34
N	ASP56
N	ALA83
N	TYR148
N	LYS152
N	VAL181
B	TYR148
O	SER11
O	ARG34
O	ASP56
O	ALA83
O	TYR148
O	LYS152
O	VAL181
B	LYS152
B	VAL181
C	SER11
C	ARG34

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING: BINDING => ECO:0000305\|PubMed:25203508

Chain	Residue	Details
B	SER135
C	SER135
F	SER135
G	SER135
J	SER135
K	SER135
N	SER135
O	SER135

site_id	SWS_FT_FI4
Number of Residues	8
Details	SITE: Important for interaction with acyl carrier protein (ACP) => ECO:0000305\|PubMed:25203508

Chain	Residue	Details
B	LYS169
C	LYS169
F	LYS169
G	LYS169
J	LYS169
K	LYS169
N	LYS169
O	LYS169

site_id	SWS_FT_FI5
Number of Residues	8
Details	MOD_RES: N-acetylmethionine => ECO:0007744\|PubMed:22814378

Chain	Residue	Details
B	MET1
C	MET1
F	MET1
G	MET1
J	MET1
K	MET1
N	MET1
O	MET1

site_id	SWS_FT_FI6
Number of Residues	24
Details	MOD_RES: N6-acetyllysine => ECO:0000250\|UniProtKB:Q91VT4

Chain	Residue	Details
B	LYS40
G	LYS40
G	LYS96
G	LYS195
J	LYS40
J	LYS96
J	LYS195
K	LYS40
K	LYS96
K	LYS195
N	LYS40
B	LYS96
N	LYS96
N	LYS195
O	LYS40
O	LYS96
O	LYS195
B	LYS195
C	LYS40
C	LYS96
C	LYS195
F	LYS40
F	LYS96
F	LYS195

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)