Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1IHI

Crystal Structure of Human Type III 3-alpha-Hydroxysteroid Dehydrogenase/Bile Acid Binding Protein (AKR1C2) Complexed with NADP+ and Ursodeoxycholate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004032	molecular_function	aldose reductase (NADPH) activity
A	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
A	0005829	cellular_component	cytosol
A	0006066	biological_process	alcohol metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006693	biological_process	prostaglandin metabolic process
A	0007186	biological_process	G protein-coupled receptor signaling pathway
A	0007586	biological_process	digestion
A	0008202	biological_process	steroid metabolic process
A	0008284	biological_process	positive regulation of cell population proliferation
A	0016491	molecular_function	oxidoreductase activity
A	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A	0030855	biological_process	epithelial cell differentiation
A	0031406	molecular_function	carboxylic acid binding
A	0032052	molecular_function	bile acid binding
A	0032787	biological_process	monocarboxylic acid metabolic process
A	0036131	molecular_function	prostaglandin D2 11-ketoreductase activity
A	0042445	biological_process	hormone metabolic process
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	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	0047718	molecular_function	indanol dehydrogenase activity
A	0051897	biological_process	positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
A	0071395	biological_process	cellular response to jasmonic acid stimulus
A	0071799	biological_process	cellular response to prostaglandin D stimulus
A	0140169	molecular_function	3-alpha-hydroxysteroid 3-dehydrogenase [NAD(P)+] activity
B	0004032	molecular_function	aldose reductase (NADPH) activity
B	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
B	0005829	cellular_component	cytosol
B	0006066	biological_process	alcohol metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006693	biological_process	prostaglandin metabolic process
B	0007186	biological_process	G protein-coupled receptor signaling pathway
B	0007586	biological_process	digestion
B	0008202	biological_process	steroid metabolic process
B	0008284	biological_process	positive regulation of cell population proliferation
B	0016491	molecular_function	oxidoreductase activity
B	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B	0030855	biological_process	epithelial cell differentiation
B	0031406	molecular_function	carboxylic acid binding
B	0032052	molecular_function	bile acid binding
B	0032787	biological_process	monocarboxylic acid metabolic process
B	0036131	molecular_function	prostaglandin D2 11-ketoreductase activity
B	0042445	biological_process	hormone metabolic process
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	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	0047718	molecular_function	indanol dehydrogenase activity
B	0051897	biological_process	positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
B	0071395	biological_process	cellular response to jasmonic acid stimulus
B	0071799	biological_process	cellular response to prostaglandin D stimulus
B	0140169	molecular_function	3-alpha-hydroxysteroid 3-dehydrogenase [NAD(P)+] activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAP A 324

Chain	Residue
A	GLY22
A	GLN190
A	TYR216
A	SER217
A	LEU219
A	GLY220
A	SER221
A	HIS222
A	ALA253
A	LEU268
A	LYS270
A	THR23
A	SER271
A	TYR272
A	ARG276
A	GLN279
A	ASN280
A	IU5326
A	TYR24
A	ASP50
A	TYR55
A	LYS84
A	HIS117
A	SER166
A	ASN167

site_id	AC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE NAP B 325

Chain	Residue
B	GLY22
B	THR23
B	TYR24
B	ASP50
B	TYR55
B	LYS84
B	HIS117
B	SER166
B	ASN167
B	GLN190
B	TYR216
B	SER217
B	LEU219
B	GLY220
B	SER221
B	HIS222
B	ALA253
B	LEU268
B	LYS270
B	SER271
B	TYR272
B	ARG276
B	GLN279
B	ASN280
B	IU5327

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE IU5 A 326

Chain	Residue
A	TYR24
A	VAL54
A	TYR55
A	TRP86
A	HIS117
A	NAP324

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE IU5 B 327

Chain	Residue
B	TYR24
B	VAL54
B	TYR55
B	TRP86
B	HIS117
B	GLU224
B	TRP227
B	NAP325

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	MET151-PHE168

site_id	PS00063
Number of Residues	16
Details	ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV

Chain	Residue	Details
A	LEU268-VAL283

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	46
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11513593","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11514561","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15929998","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17034817","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17442338","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI5
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)