Structure of PDB 3eca Chain B Binding Site BS01

Receptor Information
>3eca Chain B (length=326) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNITILATGGTIAGGGDSATKSNYTAGKVGVENLVNAVPQLKDIANVKG
EQVVNIGSQDMNDDVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLD
LTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVM
NDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSD
TPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLY
KTVFDTLATAAKNGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQ
KARVLLQLALTQTKDPQQIQQIFNQY
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 chain3eca Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eca Crystal structure of Escherichia coli L-asparaginase, an enzyme used in cancer therapy.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G11 T12 A27 G57 S58 Q59 G88 T89 D90
Binding residue
(residue number reindexed from 1)		G11 T12 A27 G57 S58 Q59 G88 T89 D90
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T12 Y25 T89 D90 K162 E283
Catalytic site (residue number reindexed from 1) T12 Y25 T89 D90 K162 E283
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:0006528 asparagine metabolic process
GO:0006530 asparagine catabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0032991 protein-containing complex
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3eca, PDBe:3eca, PDBj:3eca
PDBsum3eca
PubMed8434007
UniProtP00805|ASPG2_ECOLI L-asparaginase 2 (Gene Name=ansB)

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