Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2HE5

Crystal structure of 17alpha-hydroxysteroid dehydrogenase in binary complex with NADP(H) in an open conformation

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0005496	molecular_function	steroid binding
A	0005737	cellular_component	cytoplasm
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	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	0042448	biological_process	progesterone metabolic process
A	0044597	biological_process	daunorubicin metabolic process
A	0044598	biological_process	doxorubicin metabolic process
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	0047086	molecular_function	ketosteroid monooxygenase activity
A	0070401	molecular_function	NADP+ binding
A	0070402	molecular_function	NADPH binding
A	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
A	1902121	molecular_function	lithocholic acid binding
B	0004032	molecular_function	aldose reductase (NADPH) activity
B	0005496	molecular_function	steroid binding
B	0005737	cellular_component	cytoplasm
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	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	0042448	biological_process	progesterone metabolic process
B	0044597	biological_process	daunorubicin metabolic process
B	0044598	biological_process	doxorubicin metabolic process
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	0047086	molecular_function	ketosteroid monooxygenase activity
B	0070401	molecular_function	NADP+ binding
B	0070402	molecular_function	NADPH binding
B	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
B	1902121	molecular_function	lithocholic acid binding
C	0004032	molecular_function	aldose reductase (NADPH) activity
C	0005496	molecular_function	steroid binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006693	biological_process	prostaglandin metabolic process
C	0006694	biological_process	steroid biosynthetic process
C	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
C	0008202	biological_process	steroid metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0032052	molecular_function	bile acid binding
C	0033764	molecular_function	steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C	0042448	biological_process	progesterone metabolic process
C	0044597	biological_process	daunorubicin metabolic process
C	0044598	biological_process	doxorubicin metabolic process
C	0047023	molecular_function	androsterone dehydrogenase [NAD(P)+] activity
C	0047024	molecular_function	5-alpha-androstane-3-beta,17-beta-diol dehydrogenase (NADP+) activity
C	0047086	molecular_function	ketosteroid monooxygenase activity
C	0070401	molecular_function	NADP+ binding
C	0070402	molecular_function	NADPH binding
C	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
C	1902121	molecular_function	lithocholic acid binding
D	0004032	molecular_function	aldose reductase (NADPH) activity
D	0005496	molecular_function	steroid binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006693	biological_process	prostaglandin metabolic process
D	0006694	biological_process	steroid biosynthetic process
D	0008106	molecular_function	alcohol dehydrogenase (NADP+) activity
D	0008202	biological_process	steroid metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0032052	molecular_function	bile acid binding
D	0033764	molecular_function	steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D	0042448	biological_process	progesterone metabolic process
D	0044597	biological_process	daunorubicin metabolic process
D	0044598	biological_process	doxorubicin metabolic process
D	0047023	molecular_function	androsterone dehydrogenase [NAD(P)+] activity
D	0047024	molecular_function	5-alpha-androstane-3-beta,17-beta-diol dehydrogenase (NADP+) activity
D	0047086	molecular_function	ketosteroid monooxygenase activity
D	0070401	molecular_function	NADP+ binding
D	0070402	molecular_function	NADPH binding
D	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
D	1902121	molecular_function	lithocholic acid binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 324

Chain	Residue
B	TRP227
B	VAL228
D	TYR55
D	HIS117
D	TYR118
D	NDP401

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT C 324

Chain	Residue
C	HIS117
C	TYR118
C	NDP401
A	TRP227
A	VAL228
C	TYR55

site_id	AC3
Number of Residues	24
Details	BINDING SITE FOR RESIDUE NDP A 401

Chain	Residue
A	GLY22
A	THR23
A	ALA24
A	ASP50
A	TYR55
A	LYS84
A	HIS117
A	SER166
A	ASN167
A	GLN190
A	TYR216
A	GLY217
A	VAL218
A	LEU219
A	LEU236
A	ALA253
A	ASN269
A	THR270
A	SER271
A	LEU272
A	LYS273
A	ARG276
A	GLU279
A	HOH413

site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NDP B 401

Chain	Residue
B	GLY22
B	THR23
B	ALA24
B	ASP50
B	TYR55
B	TYR118
B	SER166
B	ASN167
B	GLN190
B	TYR216
B	GLY217
B	VAL218
B	LEU219
B	GLY220
B	ALA253
B	ASN269
B	THR270
B	SER271
B	LEU272
B	LYS273
B	ARG276
B	GLU279
B	ASN280
B	HOH406
B	HOH415

site_id	AC5
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NDP C 401

Chain	Residue
C	GLY22
C	THR23
C	ALA24
C	ASP50
C	TYR55
C	SER166
C	ASN167
C	GLN190
C	TYR216
C	GLY217
C	VAL218
C	LEU219
C	GLY220
C	THR221
C	LEU236
C	ALA253
C	THR270
C	SER271
C	LEU272
C	ARG276
C	GLU279
C	ASN280
C	ACT324

site_id	AC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE NDP D 401

Chain	Residue
D	LEU236
D	THR270
D	SER271
D	LEU272
D	ARG276
D	ACT324
D	GLY22
D	THR23
D	ALA24
D	ASP50
D	TYR55
D	LYS84
D	HIS117
D	SER166
D	ASN167
D	GLN190
D	TYR216
D	GLY217
D	VAL218
D	LEU219
D	GLY220

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BME C 501

Chain	Residue
C	ASP143
C	CYS145

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	4
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	TYR55
B	TYR55
C	TYR55
D	TYR55

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:17034817, ECO:0000269\|PubMed:17909281, ECO:0000269\|PubMed:19237748

Chain	Residue	Details
A	GLY20
B	GLN190
B	TYR216
B	THR270
C	GLY20
C	ASP50
C	SER166
C	GLN190
C	TYR216
C	THR270
D	GLY20
A	ASP50
D	ASP50
D	SER166
D	GLN190
D	TYR216
D	THR270
A	SER166
A	GLN190
A	TYR216
A	THR270
B	GLY20
B	ASP50
B	SER166

site_id	SWS_FT_FI3
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
A	LYS31
A	HIS117
B	LYS31
B	HIS117
C	LYS31
C	HIS117
D	LYS31
D	HIS117

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Lowers pKa of active site Tyr => ECO:0000250

Chain	Residue	Details
A	LYS84
B	LYS84
C	LYS84
D	LYS84

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	4
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
C	LYS84
C	HIS117
C	ASP50
C	TYR55

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

Chain	Residue	Details
D	LYS84
D	HIS117
D	ASP50
D	TYR55

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
A	LYS84
A	TYR55

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
B	LYS84
B	TYR55

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1mrq

Chain	Residue	Details
C	LYS84
C	TYR55

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

Chain	Residue	Details
D	LYS84
D	TYR55

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