Structure of PDB 5bsh Chain F Binding Site BS01

Receptor Information
>5bsh Chain F (length=272) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIPIPADSYTLGFIGAGKMAESIAKGAVRSGVLSPSRIKTAIHSNPARRT
AFESIGITVLSSNDDVVRDSNVVVFSVKPQLLKDVVLKLKPLLTKDKLLV
SVAAGIKMKDLQEWAGHERFIRVMPNTAATVGEAASVMSLGGAATEEDAN
LISQLFGSIGKIWKADDKYFDAITGLSGSGPAYIYLAIEALADGGVAAGL
PRDLALSLASQTVLGAASMATQSGKHPGQLKDDVTSPGGTTIAGVHELEK
AGFRGILMNAVVAAAKRSQELS
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 chain5bsh Chain F Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bsh The structure of Medicago truncatula delta (1)-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V236 S238 G241 T242 T243
Binding residue
(residue number reindexed from 1)		V234 S236 G239 T240 T241
Annotation score5
Enzymatic activity
Enzyme Commision number 1.5.1.2: pyrroline-5-carboxylate reductase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004735 pyrroline-5-carboxylate reductase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006561 proline biosynthetic process
GO:0055129 L-proline biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5bsh, PDBe:5bsh, PDBj:5bsh
PDBsum5bsh
PubMed26579138
UniProtG7KRM5

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