Structure of PDB 1jsr Chain D Binding Site BS01

Receptor Information
>1jsr Chain D (length=324) Species: 556 (Dickeya chrysanthemi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNIVILATGGTIAGSAATGTQTTGYKAGALGVDTLINAVPEVKKLANVK
GEQFSNMASENMTGDVVLKLSQRVNELLARDDVDGVVITHGTDTVEESAY
FLHLTVKSDKPVVFVAAMRPATAISADGPMNLLEAVRVAGDKQSRGRGVM
VVINDRIGSARYITKTNASTLDTFRANEEGYLGVIIGNRIYYQNRIDKLH
TTRSVFDVRGLTSLPKVDILYGYQDDPEYLYDAAIQHGVKGIVYAGMGAG
SVSVRGIAGMRKALEKGVVVMRSTRTGNGIVPPDEELPGLVSDSLNPAHA
RILLMLALTRTSDPKVIQEYFHTY
Ligand information
Ligand IDLDO
InChIInChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
InChIKeyOLUWXTFAPJJWPL-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCCO)C(O)=O
OpenEye OEToolkits 1.5.0C(CCO)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCCO
OpenEye OEToolkits 1.5.0C(CCO)CC(C(=O)O)N
CACTVS 3.341N[C@@H](CCCCO)C(O)=O
FormulaC6 H13 N O3
Name6-HYDROXY-L-NORLEUCINE
ChEMBLCHEMBL1233976
DrugBankDB03412
ZINCZINC000001747033
PDB chain1jsr Chain D Residue 2404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jsr Do bacterial L-asparaginases utilize a catalytic triad Thr-Tyr-Glu?
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T15 Y29 A61 S62 E63 G94 T95 D96 A120 M121
Binding residue
(residue number reindexed from 1)		T12 Y26 A58 S59 E60 G91 T92 D93 A117 M118
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T15 Y29 T95 D96 K168
Catalytic site (residue number reindexed from 1) T12 Y26 T92 D93 K165
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:1jsr, PDBe:1jsr, PDBj:1jsr
PDBsum1jsr
PubMed11755201
UniProtP06608|ASPG_DICCH L-asparaginase (Gene Name=ansB)

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