Structure of PDB 11as Chain A Binding Site BS01
Receptor Information
>11as Chain A (length=327) Species:
83333
(Escherichia coli K-12) [
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AYIAKQRQISFVKSHFSRQLEERLGLIEVQAPILSRVGDGTQDNLSGAEK
AVQVKVKALPDAQFEVVHSLAKWKRQTLGQHDFSAGEGLYTHMKALRPDE
DRLSPLHSVYVDQWDWERVMGDGERQFSTLKSTVEAIWAGIKATEAAVSE
EFGLAPFLPDQIHFVHSQELLSRYPDLDAKGRERAIAKDLGAVFLVGIGG
KLSDGHRHDVRAPDYDDWSTPSELGHAGLNGDILVWNPVLEDAFELSSMG
IRVDADTLKHQLALTGDEDRLELEWHQALLRGEMPQTIGGGIGQSRLTML
LLQLPHIGQVQAGVWPAAVRESVPSLL
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
11as Chain A Residue 331 [
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Receptor-Ligand Complex Structure
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PDB
11as
Crystal structure of asparagine synthetase reveals a close evolutionary relationship to class II aminoacyl-tRNA synthetase.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
D46 A74 Q116 Y218 S251 R255
Binding residue
(residue number reindexed from 1)
D43 A71 Q113 Y215 S248 R252
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
D46 R100 Q116 D235 E248 S251
Catalytic site (residue number reindexed from 1)
D43 R97 Q113 D232 E245 S248
Enzyme Commision number
6.3.1.1
: aspartate--ammonia ligase.
Gene Ontology
Molecular Function
GO:0004071
aspartate-ammonia ligase activity
GO:0005524
ATP binding
GO:0016874
ligase activity
GO:0042802
identical protein binding
GO:0042803
protein homodimerization activity
Biological Process
GO:0006529
asparagine biosynthetic process
GO:0006974
DNA damage response
GO:0070981
L-asparagine biosynthetic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:11as
,
PDBe:11as
,
PDBj:11as
PDBsum
11as
PubMed
9437423
UniProt
P00963
|ASNA_ECOLI Aspartate--ammonia ligase (Gene Name=asnA)
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