Structure of PDB 3axb Chain A Binding Site BS01

Receptor Information
>3axb Chain A (length=428) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPRFDYVVVGAGVVGLAAAYYLKVWSGGSVLVVDAGHAPGSGDSGRSMAA
FRTFFSSTMNRLVAGSTVRLFEDAQRGGEDLGLVKSGYLFVYDRERWREV
EEPLREAGEEGRDYLIIPPEELERRLGMNTRVSDGEEAEVLGVGDVEGAV
LIRSAGFLDAEKVVDYYYRRASGAGVEFIFGRRVVGVELKPRVELGIEGE
PLPWQEARASAAVLSDGTRVEVGEKLVVAAGVWSNRLLNPLGIDTFSRPK
KRMVFRVSASTEGLRRIMREGDLAGAGAPPLIILPKRVLVRPAPREGSFW
VQLSDNLGRPFALEEDPQPEEHYYSLAILPILSLYLPQFQDAYPSGGWAG
HYDISFDANPVVFEPWESGIVVAAGTSGSGIMKSDSIGRVAAAVALGMES
VELYGGVEMPVKWMGLEGRRYEQERLVL
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain3axb Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3axb Crystal Structure of Novel Dye-linked L-Proline Dehydrogenase from Hyperthermophilic Archaeon Aeropyrum pernix
Resolution1.92 Å
Binding residue
(original residue number in PDB)		M48 R52 Y88 M382
Binding residue
(residue number reindexed from 1)		M48 R52 Y88 M382
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3axb, PDBe:3axb, PDBj:3axb
PDBsum3axb
PubMed22511758
UniProtQ9YCJ0

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