Structure of PDB 6ruf Chain B Binding Site BS01

Receptor Information
>6ruf Chain B (length=319) Species: 273121 (Wolinella succinogenes DSM 1740) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPQVTILATGGTIAGSSAGAVTVDKLLAAVPAINDLATIKGEQISSIGSQ
EMTGKVWLKLAKRVNELLAQKETEAVIITHGTDTMEETAFFLNLTVKSQK
PVVLVGAMRPGSSMSADGPMNLYNAVNVAINKASTNKGVVIVMNDEIHAA
REATKLNTTAVNAFASPNTGKIGTVYYGKVEYFTQSVRPHTLASEFDISK
IEELPRVDILYAHPDDTDVLVNAALQAGAKGIIHAGMGNGNPFPLTQNAL
EKAAKSGVVVARSSRVGSGSTTQEAEVDDKKLGFVATESLNPQKARVLLM
LALTKTSDREAIQKIFSTY
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 chain6ruf Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ruf Features of the Three Dimensional Structure of the Mutant Form of Wolinella succinogenes L-Asparaginase in Complexes with L-Aspartic and L-Glutamic Acids
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S60 Q61 G92 T93 D94 A118
Binding residue
(residue number reindexed from 1)		S49 Q50 G81 T82 D83 A107
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T93 D94 K166 E287
Catalytic site (residue number reindexed from 1) T12 T82 D83 K155 E276
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:6ruf, PDBe:6ruf, PDBj:6ruf
PDBsum6ruf
PubMed
UniProtP50286|ASPG_WOLSU L-asparaginase (Gene Name=ansA)

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