Structure of PDB 4e3x Chain A Binding Site BS01

Receptor Information
>4e3x Chain A (length=543) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLRWKHTSSLKVANEPILAFSQGSPERDALQKALKDLKGQTEAIPCVVG
DEEVWTSDIQYQLSPFNHAHKVAKFCYADKALLNRAIDAALAARKEWDLK
PMADRAQVFLKAADMLSGPRRAEVLAKTMVGQGKTVIQAEIDAAAELIDF
FRFNAKFAVELEGEQPISVPPSTNHTVYRGLEGFVAAISPFNFTAIGGNL
AGAPALMGNVVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPTF
GDTVTSSEHLCGINFTGSVPTFKHLWRQVAQNLDRFRTFPRLAGECGGKN
FHFVHSSADVDSVVSGTLRSAFEYGGQKCSACSRLYVPKSLWPQIKGRLL
EEHSRIKVGDPAEDFGTFFSAVIDAKAFARIKKWLEHARSSPSLSILAGG
QCNESVGYYVEPCIIESKDPQEPIMKEEIFGPVLTVYVYPDDKYRETLKL
VDSTTSYGLTGAVFAQDKAIVQEATRMLRNAAGNFYINDKSTGSVVGQQP
FGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWRYSYM
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 chain4e3x Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e3x Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Resolution1.24 Å
Binding residue
(original residue number in PDB)		L302 D303 F305 T307 F308
Binding residue
(residue number reindexed from 1)		L283 D284 F286 T288 F289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N211 K233 E314 C348 E447 P532
Catalytic site (residue number reindexed from 1) N192 K214 E295 C329 E428 P513
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
Biological Process
GO:0006560 proline metabolic process
GO:0010133 proline catabolic process to glutamate
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4e3x, PDBe:4e3x, PDBj:4e3x
PDBsum4e3x
PubMed22868767
UniProtQ8CHT0|AL4A1_MOUSE Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (Gene Name=Aldh4a1)

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