Structure of PDB 8h46 Chain B Binding Site BS03

Receptor Information
>8h46 Chain B (length=321) Species: 1648923 (Bacillus paralicheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKVALITTGGAIASRKTESGRLAAGAISGPELAEMCSLPEDVQIDVYPA
FQLNSMHITFQHLLELKQTVERVFQDGSYDGVVVTHGTDTLEETAYFLDL
TLQDERPVVVTGSQRAPEQQGTDAYTNIRHAVYTACSPDIKGAGTVVVFN
ERIFNARYVKKVHASNLQGFDVFGFGYLGIIDNDKVYVYQKPLKRDVHQL
QRPLPEVDIVKCYLDGDGKFIRAAVREGAAGIVLEGVGRGQVPPNMVGDI
EQALHQGVYIVITTSAEEGEVYTTYDYAGSSYDLAKKGVILGKDYDSKKA
RMKLAVLLASYEEGIKDKFCY
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain8h46 Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h46 Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
Resolution1.8 Å
Binding residue
(original residue number in PDB)
A13 N55 S56 G88 T89 D90 S114
Binding residue
(residue number reindexed from 1)
A12 N54 S55 G87 T88 D89 S113
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006528 asparagine metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:8h46, PDBe:8h46, PDBj:8h46
PDBsum8h46
PubMed
UniProtA0A6I7U6Y2

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