Structure of PDB 2him Chain B Binding Site BS03

Receptor Information
>2him Chain B (length=329) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMQKKSIYVAYTGGTIGMQRSGHLQRQLALMPEFHRPEMPDFTIH
EYTPLMDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALS
FMLENLGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFN
NRLYRGNRTAKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGEL
IVHPITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKA
FLQELQEASDRGIVVVNLTQCMSGKVNMNALAHAGVIGGADMTVEATLTK
LHYLLSQELDTETIRKAMSQNLRGELTPD
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 chain2him Chain B Residue 6002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2him Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		T14 D59 S60 S61 G90 D92
Binding residue
(residue number reindexed from 1)		T20 D57 S58 S59 G88 D90
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T91 D92 K163
Catalytic site (residue number reindexed from 1) T20 T89 D90 K161
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:2him, PDBe:2him, PDBj:2him
PDBsum2him
PubMed17451745
UniProtP0A962|ASPG1_ECOLI L-asparaginase 1 (Gene Name=ansA)

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