Structure of PDB 5k4g Chain D Binding Site BS01

Receptor Information
>5k4g Chain D (length=328) Species: 273121 (Wolinella succinogenes DSM 1740) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQVTILATGGTIAGSGESSVKSSYSAGAVTVDKLLAAVPAINDLATIKG
EQISSIGSQEMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFF
LNLTVKSQKPVVLVGAMRSGSSMSADGPMNLYNAVNVAINKASTNKGVVI
VMNDEIHAAREATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHT
LASEFDISKIEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGN
PFPLTQNALEKAAKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLN
PQKARVLLMLALTKTSDREAIQKIFSTY
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 chain5k4g Chain D Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k4g The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G59 S60 Q61 G92 T93 D94
Binding residue
(residue number reindexed from 1)		G57 S58 Q59 G90 T91 D92
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T14 Y27 T93 D94 K166 E287
Catalytic site (residue number reindexed from 1) T12 Y25 T91 D92 K164 E285
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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5k4g, PDBe:5k4g, PDBj:5k4g
PDBsum5k4g
PubMed28139703
UniProtP50286|ASPG_WOLSU L-asparaginase (Gene Name=ansA)

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