Structure of PDB 6pa8 Chain C Binding Site BS01
Receptor Information
>6pa8 Chain C (length=330) Species:
83333
(Escherichia coli K-12) [
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HHHHLPNITILATGGTIAGGGDSATKSNYTVGKVGVENLVNAVPQLKDIA
NVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGVDTMEETA
YFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGV
LVVMNDTVLDGRDVTTTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARK
HTSDTPFDVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGN
GNLYKSVFDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGT
LNPQKARVLLQLALTQTKDPQQIQQIFNQY
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
6pa8 Chain C Residue 401 [
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Receptor-Ligand Complex Structure
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PDB
6pa8
Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
T12 G57 S58 Q59 G88 V89 D90 A114
Binding residue
(residue number reindexed from 1)
T16 G61 S62 Q63 G92 V93 D94 A118
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
T12 Y25 V89 D90 T162 E283
Catalytic site (residue number reindexed from 1)
T16 Y29 V93 D94 T166 E287
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:0006528
asparagine metabolic process
GO:0006530
asparagine catabolic process
GO:0051289
protein homotetramerization
Cellular Component
GO:0030288
outer membrane-bounded periplasmic space
GO:0032991
protein-containing complex
GO:0042597
periplasmic space
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6pa8
,
PDBe:6pa8
,
PDBj:6pa8
PDBsum
6pa8
PubMed
31423681
UniProt
P00805
|ASPG2_ECOLI L-asparaginase 2 (Gene Name=ansB)
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