Structure of PDB 3uh1 Chain A Binding Site BS02

Receptor Information
>3uh1 Chain A (length=367) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTLHLRAETKPLEARAALTPTTVKKLIAKGFKIYVEDSPQSTFNINEYR
QAGAIIVPAGSWKTAPRDRIIIGLKEMPETDTFPLVHEHIQFAHCYKDQA
GWQNVLMRFIKGHGTLYDLEFLENDQGRRVAAFGFYAGFAGAALGVRDWA
FKQTHSDDEDLPAVSPYPNEKALVKDVTKDYKEALATGARKPTVLIIGAL
GRSGSGAIDLLHKVGIPDANILKWDIKETSRGGPFDEIPQADIFINCIYL
SKPIAPFTNMEKLNNPNRRLRTVVDVSADTTNPHNPIPIYTVATVFNKPT
VLVPTTAGPKLSVISIDHLPSLLPREASEFFSHDLLPSLELLPQRKTAPV
WVRAKKLFDRHCARVKR
Ligand information
Ligand IDSHR
InChIInChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyZDGJAHTZVHVLOT-YUMQZZPRSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O
OpenEye OEToolkits 1.5.0C(CCNC(CCC(=O)O)C(=O)O)CC(C(=O)O)N
CACTVS 3.341N[CH](CCCCN[CH](CCC(O)=O)C(O)=O)C(O)=O
FormulaC11 H20 N2 O6
NameN-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID
ChEMBL
DrugBankDB04207
ZINCZINC000001532666
PDB chain3uh1 Chain A Residue 375 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uh1 Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		R18 K77 F94 H96 K99 Q101 R131 A134 F135 S279 D281 D319 P322
Binding residue
(residue number reindexed from 1)		R16 K75 F92 H94 K97 Q99 R129 A132 F133 S277 D279 D317 P320
Annotation score5
Enzymatic activity
Enzyme Commision number 1.5.1.7: saccharopine dehydrogenase (NAD(+), L-lysine-forming).
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0004753 saccharopine dehydrogenase activity
GO:0004754 saccharopine dehydrogenase (NAD+, L-lysine-forming) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0006553 lysine metabolic process
GO:0009085 lysine biosynthetic process
GO:0016558 protein import into peroxisome matrix
GO:0019878 lysine biosynthetic process via aminoadipic acid
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uh1, PDBe:3uh1, PDBj:3uh1
PDBsum3uh1
PubMed22243403
UniProtP38998|LYS1_YEAST Saccharopine dehydrogenase [NAD(+), L-lysine-forming] (Gene Name=LYS1)

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