Structure of PDB 2p2n Chain D Binding Site BS01

Receptor Information
>2p2n Chain D (length=319) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMQKKSIYVAYTGGHLQRQLALMPEFHRPEMPDFTIHEYTPLMDS
SDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLENLGK
PVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLYRGNR
TTKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHPITPQ
PIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQELQEA
SDRGIVVVNLTQCMSGKVNALAHAGVIGGADMTVEATLTKLHYLLSQELD
TETIRKAMSQNLRGELTPD
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 chain2p2n Chain D Residue 7007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p2n Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia colil-Asparaginase I
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D59 S60 G90 T91 D92
Binding residue
(residue number reindexed from 1)		D49 S50 G80 T81 D82
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T91 D92 K163
Catalytic site (residue number reindexed from 1) T81 D82 K153
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0033345 asparagine catabolic process via L-aspartate
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
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:2p2n, PDBe:2p2n, PDBj:2p2n
PDBsum2p2n
PubMed17451745
UniProtP0A962|ASPG1_ECOLI L-asparaginase 1 (Gene Name=ansA)

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