Structure of PDB 2cnu Chain A Binding Site BS01

Receptor Information
>2cnu Chain A (length=302) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SITKTELDGILPLVARGKVRDIYEVDAGTLLFVATDRISAYDVIMENSIP
EKGILLTKLSEFWFKFLSNDVRNHLVDIAPGKTIFDYLPAKLSEPKYKTQ
LEDRSLLVHKHKLIPLEVIVRGYITGSAWKEYVKTGTVHGLKQPQGLKES
QEFPEPIFTPSTKAEHDENISPAQAAELVGEDLSRRVAELAVKLYSKCKD
YAKEKGIIIADTKFEFGIDEKTNEIILVDEVLTPDSSRFWNGASYKVGES
QDSYDKQFLRDWLTANKLNGVNGVKMPQDIVDRTRAKYIEAYETLTGSKW
SH
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain2cnu Chain A Residue 1308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cnu Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		S40 A41 Y42 D43 K260 R264
Binding residue
(residue number reindexed from 1)		S39 A40 Y41 D42 K256 R260
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.6: phosphoribosylaminoimidazolesuccinocarboxamide synthase.
Gene Ontology
Molecular Function
GO:0004639 phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2cnu, PDBe:2cnu, PDBj:2cnu
PDBsum2cnu
PubMed
UniProtP27616|PUR7_YEAST Phosphoribosylaminoimidazole-succinocarboxamide synthase (Gene Name=ADE1)

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