Structure of PDB 1ae1 Chain A

Receptor sequence
>1ae1A (length=245) Species: 4076 (Datura stramonium) [Search protein sequence]
RWSLKGTTALVTGGSKGIGYAIVEELAGLGARVYTCSRNEKELDECLEIW
REKGLNVEGSVCDLLSRTERDKLMQTVAHVFDGKLNILVNNAGVVIHKEA
KDFTEKDYNIIMGTNFEAAYHLSQIAYPLLKASQNGNVIFLSSIAGFSAL
PSVSLYSASKGAINQMTKSLACEWAKDNIRVNSVAPGVILQKEEIDNFIV
KTPMGRAGKPQEVSALIAFLCFPAASYITGQIIWADGGFTANGGF
3D structure
PDB1ae1 Crystal structures of two tropinone reductases: different reaction stereospecificities in the same protein fold.
ChainA
Resolution2.4 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G32 S158 V168 Y171 K175
Catalytic site (residue number reindexed from 1) G17 S143 V153 Y156 K160
Enzyme Commision number 1.1.1.206: tropinone reductase I.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAP A G28 S30 K31 I33 S52 R53 D78 L79 N106 A107 L156 S158 Y171 K175 P201 G202 I204 G13 S15 K16 I18 S37 R38 D63 L64 N91 A92 L141 S143 Y156 K160 P186 G187 I189
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0050356 tropine dehydrogenase activity
Biological Process
GO:0009710 tropane alkaloid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1ae1, PDBe:1ae1, PDBj:1ae1
PDBsum1ae1
PubMed9560196
UniProtP50162|TRN1_DATST Tropinone reductase 1 (Gene Name=TR1)

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