Structure of PDB 5k4h Chain C Binding Site BS01

Receptor Information
>5k4h Chain C (length=316) Species: 273121 (Wolinella succinogenes DSM 1740) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQVTILATGGTIAGSAVTVDKLLAAVPAINDLATIKGEQISSIGSQEMT
GKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKPVV
LVGAMRSGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAREA
TKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKIEE
LPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALEKA
AKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLNPQKARVLLMLAL
TKTSDREAIQKIFSTY
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain5k4h Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5k4h The differential ability of asparagine and glutamine in promoting the closed/active enzyme conformation rationalizes the Wolinella succinogenes L-asparaginase substrate specificity.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G13 T14 S60 Q61 G92 T93 D94
Binding residue
(residue number reindexed from 1)		G11 T12 S46 Q47 G78 T79 D80
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T93 D94 K166 E287
Catalytic site (residue number reindexed from 1) T12 T79 D80 K152 E273
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:5k4h, PDBe:5k4h, PDBj:5k4h
PDBsum5k4h
PubMed28139703
UniProtP50286|ASPG_WOLSU L-asparaginase (Gene Name=ansA)

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