Structure of PDB 1hg1 Chain D Binding Site BS01

Receptor Information
>1hg1 Chain D (length=309) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNIVILATGGTIAGSGVDTLINAVPEVKKLANVKGEQFSNMASENMTGD
VVLKLSQRVNELLARDDVDGVVITHGTDTVEESAYFLHLTVKSDKPVVFV
AAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVMVVINDRIGSARYITK
TNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLHTTRSVFDVRGLTSLP
KVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAGSVSVRGIAGMRKALE
KGVVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHARILLMLALTRTSDPK
VIQEYFHTY
Ligand information
Ligand IDDAS
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
InChIKeyCKLJMWTZIZZHCS-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(=O)O
CACTVS 3.341N[CH](CC(O)=O)C(O)=O
CACTVS 3.341N[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)C(=O)O
ACDLabs 10.04O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameD-ASPARTIC ACID
ChEMBLCHEMBL29757
DrugBankDB02655
ZINCZINC000000895218
PDB chain1hg1 Chain D Residue 350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1hg1 Stuctural Basis for the Activity and Substrate Specificity of Erwinia Chrysanthemi L-Asparaginase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A61 S62 E63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		A43 S44 E45 G76 T77 D78
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T15 T95 D96 K168
Catalytic site (residue number reindexed from 1) T12 T77 D78 K150
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:1hg1, PDBe:1hg1, PDBj:1hg1
PDBsum1hg1
PubMed11341830
UniProtP06608|ASPG_DICCH L-asparaginase (Gene Name=ansB)

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