Structure of PDB 4pu6 Chain B Binding Site BS01

Receptor Information
>4pu6 Chain B (length=131) Species: 3885 (Phaseolus vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVGCVVVDREGRCAAATSTGGLMNKMTGRIGDSPLIGAGTYACDVCGVSC
TGEGEAIIRGTLAREVAAVMEYKGLKLHQAVDFVIKHRLDEGKAGLIAVS
NTGEVACGFNCNGMFRACATEDGFMEVAIWD
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain4pu6 Chain B Residue 501 [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)		T196 R224 D227 T246 G247 G249
Binding residue
(residue number reindexed from 1)		T1 R29 D32 T51 G52 G54
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T196 T214 R224 T246 G247
Catalytic site (residue number reindexed from 1) T1 T19 R29 T51 G52
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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