Structure of PDB 5hw0 Chain A Binding Site BS01

Receptor Information
>5hw0 Chain A (length=311) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPNIVILATGGTIAGALGVDTLINAVPEVKKLANVKGEQFSNMASENMT
GDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVV
FVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVLNDRIGSARYI
TKTNASTLDTFKANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTS
LPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKA
MEKGVVVIRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSD
PKVIQEYFHTY
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain5hw0 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hw0 Structural Insight into Substrate Selectivity of Erwinia chrysanthemi l-Asparaginase.
Resolution1.702 Å
Binding residue
(original residue number in PDB)		G14 T15 A61 S62 E63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		G12 T13 A45 S46 E47 G78 T79 D80
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T15 T95 D96 K168
Catalytic site (residue number reindexed from 1) T13 T79 D80 K152
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006528 asparagine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hw0, PDBe:5hw0, PDBj:5hw0
PDBsum5hw0
PubMed26855287
UniProtP06608|ASPG_DICCH L-asparaginase (Gene Name=ansB)

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