Structure of PDB 8up3 Chain E Binding Site BS01

Receptor Information
>8up3 Chain E (length=164) Species: 269796 (Rhodospirillum rubrum ATCC 11170) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSPLRIFTAGGTIDKDFRLEENGLVVGDPFVAEVLKTARLAGAVSIVALS
RKDSLDFTEADREAIGRAVGQAVEDHILLTHGTDTMVETARYLGGLPELA
GKTVVLSGAMVPGRVGGSDAAFNIGFACAAALMLAPGVYIAMHGKVFDPA
KTRKNRGLGRFEPI
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 chain8up3 Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8up3 RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		T16 D57 S58 G86 T87 D88
Binding residue
(residue number reindexed from 1)		T12 D53 S54 G82 T83 D84
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8up3, PDBe:8up3, PDBj:8up3
PDBsum8up3
PubMed38501449
UniProtQ2RMX1

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