Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2HEJ

Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP(H) in a closed conformation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0001758	molecular_function	retinal dehydrogenase (NAD+) activity
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
A	0005496	molecular_function	steroid binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006693	biological_process	prostaglandin metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
A	0008202	biological_process	steroid metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A	0031406	molecular_function	carboxylic acid binding
A	0032052	molecular_function	bile acid binding
A	0033764	molecular_function	steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A	0036130	molecular_function	prostaglandin H2 endoperoxidase reductase activity
A	0036131	molecular_function	prostaglandin D2 11-ketoreductase activity
A	0042448	biological_process	progesterone metabolic process
A	0044597	biological_process	daunorubicin metabolic process
A	0044598	biological_process	doxorubicin metabolic process
A	0045550	molecular_function	geranylgeranyl reductase activity
A	0045703	molecular_function	ketoreductase activity
A	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
A	0047023	molecular_function	androsterone dehydrogenase [NAD(P)+] activity
A	0047024	molecular_function	5-alpha-androstane-3-beta,17-beta-diol dehydrogenase (NADP+) activity
A	0047045	molecular_function	testosterone dehydrogenase (NADP+) activity
A	0047086	molecular_function	ketosteroid monooxygenase activity
A	0047115	molecular_function	trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
A	0047743	molecular_function	chlordecone reductase activity
A	0047787	molecular_function	Delta4-3-oxosteroid 5beta-reductase activity
A	0070401	molecular_function	NADP+ binding
A	0070402	molecular_function	NADPH binding
A	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
A	0140169	molecular_function	3-alpha-hydroxysteroid 3-dehydrogenase [NAD(P)+] activity
A	1902121	molecular_function	lithocholic acid binding
B	0001758	molecular_function	retinal dehydrogenase (NAD+) activity
B	0004032	molecular_function	aldose reductase (NADPH) activity
B	0004745	molecular_function	all-trans-retinol dehydrogenase (NAD+) activity
B	0005496	molecular_function	steroid binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006693	biological_process	prostaglandin metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
B	0008202	biological_process	steroid metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B	0031406	molecular_function	carboxylic acid binding
B	0032052	molecular_function	bile acid binding
B	0033764	molecular_function	steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B	0036130	molecular_function	prostaglandin H2 endoperoxidase reductase activity
B	0036131	molecular_function	prostaglandin D2 11-ketoreductase activity
B	0042448	biological_process	progesterone metabolic process
B	0044597	biological_process	daunorubicin metabolic process
B	0044598	biological_process	doxorubicin metabolic process
B	0045550	molecular_function	geranylgeranyl reductase activity
B	0045703	molecular_function	ketoreductase activity
B	0047020	molecular_function	15-hydroxyprostaglandin-D dehydrogenase (NADP+) activity
B	0047023	molecular_function	androsterone dehydrogenase [NAD(P)+] activity
B	0047024	molecular_function	5-alpha-androstane-3-beta,17-beta-diol dehydrogenase (NADP+) activity
B	0047045	molecular_function	testosterone dehydrogenase (NADP+) activity
B	0047086	molecular_function	ketosteroid monooxygenase activity
B	0047115	molecular_function	trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
B	0047743	molecular_function	chlordecone reductase activity
B	0047787	molecular_function	Delta4-3-oxosteroid 5beta-reductase activity
B	0070401	molecular_function	NADP+ binding
B	0070402	molecular_function	NADPH binding
B	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
B	0140169	molecular_function	3-alpha-hydroxysteroid 3-dehydrogenase [NAD(P)+] activity
B	1902121	molecular_function	lithocholic acid binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NDP A 401

Chain	Residue
A	GLY22
A	GLN190
A	TYR216
A	GLY217
A	VAL218
A	LEU219
A	GLY220
A	THR221
A	GLN222
A	TYR224
A	LEU236
A	THR23
A	ALA253
A	ASN269
A	THR270
A	SER271
A	LEU272
A	LYS273
A	ARG276
A	GLU279
A	ASN280
A	ILE306
A	ALA24
A	HOH1003
A	HOH1015
A	HOH1054
A	HOH1081
A	HOH1122
A	HOH1171
A	HOH1295
A	HOH1421
A	ASP50
A	TYR55
A	LYS84
A	HIS117
A	SER166
A	ASN167

site_id	AC2
Number of Residues	36
Details	BINDING SITE FOR RESIDUE NDP B 401

Chain	Residue
B	GLY22
B	THR23
B	ALA24
B	ASP50
B	TYR55
B	LYS84
B	HIS117
B	SER166
B	ASN167
B	GLN190
B	TYR216
B	GLY217
B	VAL218
B	LEU219
B	GLY220
B	THR221
B	GLN222
B	TYR224
B	LEU236
B	ALA253
B	ASN269
B	THR270
B	SER271
B	LEU272
B	LYS273
B	ARG276
B	GLU279
B	ASN280
B	HOH1006
B	HOH1017
B	HOH1037
B	HOH1075
B	HOH1118
B	HOH1164
B	HOH1251
B	HOH1311

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 801

Chain	Residue
A	LEU25
A	MPD901
A	HOH1383

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 802

Chain	Residue
B	ALA24
B	LEU25
B	MPD902

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 803

Chain	Residue
A	SER53
A	ASN56
A	ASN128
A	HOH1033
A	HOH1117
A	HOH1210

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 804

Chain	Residue
A	ASN11
A	ASP12
A	TYR184
A	LYS185
A	HOH1042
A	HOH1349

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 805

Chain	Residue
A	ARG76
A	GLN107
A	PHE108
A	HOH1072
A	HOH1143
A	HOH1286

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE BME A 1001

Chain	Residue
A	CYS29

site_id	AC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME B 1002

Chain	Residue
B	LYS33
B	CYS29

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD A 901

Chain	Residue
A	VAL54
A	TYR55
A	TYR224
A	TRP227
A	EDO801
A	HOH1128

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD B 902

Chain	Residue
B	VAL54
B	TYR55
B	TRP86
B	TYR224
B	TRP227
B	EDO802

Functional Information from PROSITE/UniProt

site_id	PS00062
Number of Residues	18
Details	ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglTKSIGVSNF

Chain	Residue	Details
A	MET151-PHE168

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	50
Details	Binding site: {"evidences":[{"source":"PubMed","id":"17034817","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17909281","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19237748","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	2
Details	Site: {"description":"Lowers pKa of active site Tyr","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
A	LYS84
A	HIS117
A	ASP50
A	TYR55

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
B	LYS84
B	HIS117
B	ASP50
B	TYR55

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
A	LYS84
A	TYR55

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
B	LYS84
B	TYR55

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