Structure of PDB 4nje Chain A Binding Site BS01

Receptor Information
>4nje Chain A (length=182) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKILLIGMGGTIASVKGENGYEASLSVKEVLDIAGIKDCEDCDFLDLKNV
DSTLIQPEDWVDLAETLYKNVKKYDGIIVTHGTDTLAYTSSMISFMLRNP
PIPIVFTGSMIPATEENSDAPLNLQTAIKFATSGIRGVYVAFNGKVMLGV
RTSKVRTMSRDAFESINYPIIAELRGEDLVVN
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 chain4nje Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4nje Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T11 D51 S52 G82 T83 D84
Binding residue
(residue number reindexed from 1)		T11 D51 S52 G82 T83 D84
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T11 Y21 T83 D84 K154
Catalytic site (residue number reindexed from 1) T11 Y21 T83 D84 K154
Enzyme Commision number 3.5.1.1: asparaginase.
External links
PDB RCSB:4nje, PDBe:4nje, PDBj:4nje
PDBsum4nje
PubMed25478837
UniProtQ8TZE8|ASPG_PYRFU L-asparaginase (Gene Name=PF2047)

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