Structure of PDB 2p2n Chain B Binding Site BS03

Receptor Information
>2p2n Chain B (length=321) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMQKKSIYVAYTGGSGHLQRQLALMPEFHRPEMPDFTIHEYTPLMD
SSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLENLG
KPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLYRGN
RTTKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHPITP
QPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQELQE
ASDRGIVVVNLTQCMSGKVNMALAHAGVIGGADMTVEATLTKLHYLLSQE
LDTETIRKAMSQNLRGELTPD
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain2p2n Chain B Residue 8002 [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)		T162 R240 Q272 C273 T301 V302 E303
Binding residue
(residue number reindexed from 1)		T153 R231 Q263 C264 T285 V286 E287
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T91 D92 K163
Catalytic site (residue number reindexed from 1) T82 D83 K154
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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