Structure of PDB 3v9j Chain A Binding Site BS01

Receptor Information
>3v9j Chain A (length=544) 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
FGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWRYSYMQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3v9j Chain A Residue 564 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v9j The Three-Dimensional Structural Basis of Type II Hyperprolinemia.
Resolution1.299 Å
Binding residue
(original residue number in PDB)		S349 G512 S513 F520
Binding residue
(residue number reindexed from 1)		S330 G493 S494 F501
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:3v9j, PDBe:3v9j, PDBj:3v9j
PDBsum3v9j
PubMed22516612
UniProtQ8CHT0|AL4A1_MOUSE Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (Gene Name=Aldh4a1)

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