Structure of PDB 2him Chain A Binding Site BS02
Receptor Information
>2him Chain A (length=324) Species:
562
(Escherichia coli) [
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KKSIYVAYTGGTIGMQRIPVSGHLQRQLALMPEFHRPEMPDFTIHEYTPL
MDSSDMTPEDWQHIAEDIKAHYDDYDGFVILHGTDTMAYTASALSFMLEN
LGKPVIVTGSQIPLAELRSDGQINLLNALYVAANYPINEVTLFFNNRLYR
GNRTAKAHADGFDAFASPNLPPLLEAGIHIRRLNTPPAPHGEGELIVHPI
TPQPIGVVTIYPGISADVVRNFLRQPVKALILRSYGVGNAPQNKAFLQEL
QEASDRGIVVVNLTQCMSGKVNMGNALAHAGVIGGADMTVEATLTKLHYL
LSQELDTETIRKAMSQNLRGELTP
Ligand information
Ligand ID
ASN
InChI
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKey
DCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
Software
SMILES
CACTVS 3.370
N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01
O=C(N)CC(N)C(=O)O
CACTVS 3.370
N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2
C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2
C([C@@H](C(=O)O)N)C(=O)N
Formula
C4 H8 N2 O3
Name
ASPARAGINE
ChEMBL
CHEMBL58832
DrugBank
DB00174
ZINC
ZINC000001532556
PDB chain
2him Chain A Residue 8001 [
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Receptor-Ligand Complex Structure
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PDB
2him
Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
Resolution
1.82 Å
Binding residue
(original residue number in PDB)
R240 C273 T301 V302 E303
Binding residue
(residue number reindexed from 1)
R233 C266 T289 V290 E291
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
T14 T91 D92 K163 G286
Catalytic site (residue number reindexed from 1)
T12 T84 D85 K156 G274
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
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:2him
,
PDBe:2him
,
PDBj:2him
PDBsum
2him
PubMed
17451745
UniProt
P0A962
|ASPG1_ECOLI L-asparaginase 1 (Gene Name=ansA)
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