Structure of PDB 6nxc Chain A Binding Site BS01

Receptor Information
>6nxc Chain A (length=326) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKSIYVAYTGGTIGMQRSIPVSGHLQRQLALMPEFHRPEMPDFTIHEYTP
LMDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLE
NLGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLY
RGNRTAKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHP
ITPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQE
LQEASDRGIVVVNLTQCMSGKVNMGNALAHAGVIGGADMTVEATLTKLHY
LLSQELDTETIRKAMSQNLRGELTPD
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 chain6nxc Chain A Residue 9109 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6nxc Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		R240 C273 T301 V302 E303
Binding residue
(residue number reindexed from 1)		R234 C267 T290 V291 E292
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T14 T91 D92 K163 G286
Catalytic site (residue number reindexed from 1) T12 T85 D86 K157 G275
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6nxc, PDBe:6nxc, PDBj:6nxc
PDBsum6nxc
PubMed31363102
UniProtP0A962|ASPG1_ECOLI L-asparaginase 1 (Gene Name=ansA)

[Back to BioLiP]