Structure of PDB 8h4b Chain A Binding Site BS01

Receptor Information
>8h4b Chain A (length=321) Species: 1648923 (Bacillus paralicheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKKVALITTGGAIASRGRAGAISGPELAEMCSLPEDVQIDVYPAFQLPSP
HITFQHLLELKQTVERVFQDGSYDGVVVTHGTDTLEETAYFLDLTLQDER
PVVVTGSQRAPEQQGTDAYTNIRHAVYTACSPDIKGAGTVVVFNERIFNA
RYVKKVHASNLQGFDVFGFGYLGIIDNDKVYVYQKPLKRDVHQLQRPLPE
VDIVKCYLDGDGKFIRAAVREGAAGIVLEGVGRGQVPPNMVGDIEQALHQ
GVYIVITTSAEEGEVYTTYDYAGSSYDLAKKGVILGKDYDSKKARMKLAV
LLASYEEGIKDKFCYLEHHHH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8h4b Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h4b Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E268 D295
Binding residue
(residue number reindexed from 1)		E261 D288
Annotation score1
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:8h4b, PDBe:8h4b, PDBj:8h4b
PDBsum8h4b
PubMed
UniProtA0A6I7U6Y2

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