Structure of PDB 1hfw Chain A Binding Site BS01

Receptor Information
>1hfw Chain A (length=307) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLPNIVILATGGTIAVDTLINAVPEVKKLANVKGEQFSNMASENMTGDVV
LKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFVAA
MRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITKTN
ASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTSLPKV
DILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALEKG
VVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSDPKVI
QEYFHTY
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 chain1hfw Chain A Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hfw Stuctural Basis for the Activity and Substrate Specificity of Erwinia Chrysanthemi L-Asparaginase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G14 T15 S62 E63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		G12 T13 S42 E43 G74 T75 D76
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T15 T95 D96 K168
Catalytic site (residue number reindexed from 1) T13 T75 D76 K148
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:1hfw, PDBe:1hfw, PDBj:1hfw
PDBsum1hfw
PubMed11341830
UniProtP06608|ASPG_DICCH L-asparaginase (Gene Name=ansB)

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