Structure of PDB 6rue Chain A Binding Site BS01

Receptor Information
>6rue Chain A (length=318) Species: 273121 (Wolinella succinogenes DSM 1740) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQVTILATGGTIAGSAGAVTVDKLLAAVPAINDLATIKGEQISSIGSQE
MTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQKP
VVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAAR
EATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISKI
EELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNALE
KAAKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLNPQKARVLLML
ALTKTSDREAIQKIFSTY
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 chain6rue Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rue Features of the Three Dimensional Structure of the Mutant Form of Wolinella succinogenes L-Asparaginase in Complexes with L-Aspartic and L-Glutamic Acids
Resolution1.65 Å
Binding residue
(original residue number in PDB)		G59 S60 Q61 G92 T93 D94 A118
Binding residue
(residue number reindexed from 1)		G47 S48 Q49 G80 T81 D82 A106
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T93 D94 K166 E287
Catalytic site (residue number reindexed from 1) T12 T81 D82 K154 E275
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:6rue, PDBe:6rue, PDBj:6rue
PDBsum6rue
PubMed
UniProtP50286|ASPG_WOLSU L-asparaginase (Gene Name=ansA)

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