Structure of PDB 2ae2 Chain A

Receptor sequence

>2ae2A (length=259) Species: 4076 (Datura stramonium) [Search protein sequence]

AGRWNLEGCTALVTGGSRGIGYGIVEELASLGASVYTCSRNQKELNDCLT
QWRSKGFKVEASVCDLSSRSERQELMNTVANHFHGKLNILVNNAGIVIYK
EAKDYTVEDYSLIMSINFEAAYHLSVLAHPFLKASERGNVVFISSVSGAL
AVPYEAVYGATKGAMDQLTRCLAFEWAKDNIRVNGVGPGVIATSLVEMTI
QDPEQKENLNKLIDRCALRRMGEPKELAAMVAFLCFPAASYVTGQIIYVD
GGLMANCGF

3D structure

PDB

2ae2 Structure of tropinone reductase-II complexed with NADP+ and pseudotropine at 1.9 A resolution: implication for stereospecific substrate binding and catalysis.

Chain

Resolution

1.9 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	G20 S146 Y159 K163
Catalytic site (residue number reindexed from 1)	G19 S145 Y158 K162
Enzyme Commision number	1.1.1.236: tropinone reductase II.

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	G16 S18 R19 G20 I21 S40 R41 C65 L67 N94 G96 I117 I144 S146 Y159 K163 P189 G190 V191 I192 T194 S195 L196 V197	G15 S17 R18 G19 I20 S39 R40 C64 L66 N93 G95 I116 I143 S145 Y158 K162 P188 G189 V190 I191 T193 S194 L195 V196
BS02	PTO	A	S146 E156 Y159 L196	S145 E155 Y158 L195

Gene Ontology

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0050358	tropinone reductase activity

	Biological Process
GO:0009710	tropane alkaloid biosynthetic process

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:2ae2, PDBe:2ae2, PDBj:2ae2
PDBsum	2ae2
PubMed	10387002
UniProt	P50163\|TRN2_DATST Tropinone reductase 2 (Gene Name=TR2)

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