Structure of PDB 6nxd Chain B Binding Site BS01

Receptor Information
>6nxd Chain B (length=325) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRGSHMQKKSIYVAYTGGTIGMSGHLQRQLALMPEFHRPEMPDFTIHEYT
PLMDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFML
ENLGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRL
YRGNRTTKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGELIVH
PITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQ
ELQEASDRGIVVVNLTQCMSGKVNMALAHAGVIGGADMTVEATLTKLHYL
LSQELDTETIRKAMSQNLRGELTPD
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain6nxd Chain B Residue 1006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nxd Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T162 R240 Q272 C273 T301 V302 E303
Binding residue
(residue number reindexed from 1)		T157 R235 Q267 C268 T289 V290 E291
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T91 D92 K163
Catalytic site (residue number reindexed from 1) T19 T86 D87 K158
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0033345 asparagine catabolic process via L-aspartate
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6nxd, PDBe:6nxd, PDBj:6nxd
PDBsum6nxd
PubMed31363102
UniProtP0A962|ASPG1_ECOLI L-asparaginase 1 (Gene Name=ansA)

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