6DTP

CRYSTAL STRUCTURE OF HUMAN 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 COMPLEXED WITH EM139

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
A	0005496	molecular_function	steroid binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006703	biological_process	estrogen biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0036094	molecular_function	small molecule binding
A	0042803	molecular_function	protein homodimerization activity
A	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
A	0047045	molecular_function	testosterone dehydrogenase (NADP+) activity
A	0050661	molecular_function	NADP binding
A	0060348	biological_process	bone development
A	0061370	biological_process	testosterone biosynthetic process
A	0070401	molecular_function	NADP+ binding
A	0071248	biological_process	cellular response to metal ion
A	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
A	1903924	molecular_function	estradiol binding
B	0004303	molecular_function	estradiol 17-beta-dehydrogenase [NAD(P)+] activity
B	0005496	molecular_function	steroid binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0006703	biological_process	estrogen biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0036094	molecular_function	small molecule binding
B	0042803	molecular_function	protein homodimerization activity
B	0047035	molecular_function	testosterone dehydrogenase (NAD+) activity
B	0047045	molecular_function	testosterone dehydrogenase (NADP+) activity
B	0050661	molecular_function	NADP binding
B	0060348	biological_process	bone development
B	0061370	biological_process	testosterone biosynthetic process
B	0070401	molecular_function	NADP+ binding
B	0071248	biological_process	cellular response to metal ion
B	0072582	molecular_function	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
B	1903924	molecular_function	estradiol binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue GOL A 401

Chain	Residue
A	PRO55
A	PRO56
A	GLY57
A	SER58
A	LEU59
A	ALA230
A	GLU235

---

site_id	AC2
Number of Residues	10
Details	binding site for residue GOL A 402

Chain	Residue
A	ARG266
A	GOL404
A	HOH514
B	GLY145
B	LEU146
B	PHE160
B	ARG266
B	HOH506
A	GLY145
A	PHE160

---

site_id	AC3
Number of Residues	7
Details	binding site for residue GOL A 403

Chain	Residue
A	ARG50
A	VAL239
A	THR242
A	TYR253
A	PHE254
A	HOH502
A	HOH505

---

site_id	AC4
Number of Residues	8
Details	binding site for residue GOL A 404

Chain	Residue
A	ARG266
A	ASP269
A	PRO270
A	GOL402
B	LEU146
B	ARG252
B	HOH506
B	HOH518

---

site_id	AC5
Number of Residues	9
Details	binding site for residue GOL A 405

Chain	Residue
A	CYS89
A	ASN90
A	ALA91
A	GLY92
A	ASN114
A	THR118
A	LYS159
A	LEU162
A	HOH508

---

site_id	AC6
Number of Residues	5
Details	binding site for residue EDO A 406

Chain	Residue
A	ARG252
A	HOH507
A	HOH514
B	ARG266
B	PRO270

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 407

Chain	Residue
A	ASP25
A	SER27
A	ARG245

---

site_id	AC8
Number of Residues	13
Details	binding site for residue EM9 A 408

Chain	Residue
A	SER142
A	VAL143
A	LEU149
A	TYR155
A	GLY186
A	PRO187
A	TYR218
A	HIS221
A	SER222
A	PHE226
A	PHE259
A	MET279
A	GLU282

---

site_id	AC9
Number of Residues	9
Details	binding site for residue PGE A 409

Chain	Residue
A	ALA170
A	LEU173
A	LEU174
A	VAL178
A	LEU180
A	PRO249
A	THR250
A	LEU251
B	THR277

---

site_id	AD1
Number of Residues	3
Details	binding site for residue GOL B 401

Chain	Residue
B	GLU47
B	PHE254
B	THR255

---

site_id	AD2
Number of Residues	5
Details	binding site for residue GOL B 402

Chain	Residue
B	TRP46
B	ARG50
B	ALA230
B	ASN232
B	GLU235

---

site_id	AD3
Number of Residues	2
Details	binding site for residue EDO B 403

Chain	Residue
B	TYR216
B	LYS223

---

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO B 404

Chain	Residue
B	PHE125
B	ASP128

---

site_id	AD5
Number of Residues	3
Details	binding site for residue PEG B 405

Chain	Residue
A	LYS130
A	PRO175
B	ARG214

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	SER142-ALA170

---

Functional Information from SwissProt/UniProt

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

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	62
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8805577","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine; by PKA","evidences":[{"source":"PubMed","id":"8994190","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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