Structure of PDB 5b5u Chain A Binding Site BS03

Receptor Information
>5b5u Chain A (length=175) 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
RTSKVRTMSRDAFESINYPIIAELR
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 chain5b5u 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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PDB5b5u Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		T11 D51 S52 G82 T83 D84 S109 M110
Binding residue
(residue number reindexed from 1)		T11 D51 S52 G82 T83 D84 S109 M110
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:5b5u, PDBe:5b5u, PDBj:5b5u
PDBsum5b5u
PubMed33303914
UniProtQ8TZE8|ASPG_PYRFU L-asparaginase (Gene Name=PF2047)

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