Structure of PDB 4pu6 Chain A Binding Site BS01

Receptor Information
>4pu6 Chain A (length=157) Species: 3885 (Phaseolus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGWAIAVHGGAGVDPTLPLERQEEAKQLLTRCLNLGISALNSNVPAIDVV
ELVVRELETDPLFNSGRGSALTEKGTVEMEASIMDGPKRRCGAVSGLTTV
KNPISLARLVMDKSPHSYIAFSGAEDFARQQGVEVVDNEYFVTPDNVGML
KLAKEAN
Ligand information
Ligand IDK
InChIInChI=1S/K/q+1
InChIKeyNPYPAHLBTDXSSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[K+]
FormulaK
NamePOTASSIUM ION
ChEMBLCHEMBL1233793
DrugBankDB01345
ZINC
PDB chain4pu6 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4pu6 Na+/K+ exchange switches the catalytic apparatus of potassium-dependent plant L-asparaginase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L58 E59 T60 D61 P62 F64 S66 G67 R68 G69
Binding residue
(residue number reindexed from 1)		L57 E58 T59 D60 P61 F63 S65 G66 R67 G68
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S66
Catalytic site (residue number reindexed from 1) S65
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:4pu6, PDBe:4pu6, PDBj:4pu6
PDBsum4pu6
PubMed25004963
UniProtV7CU13

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