Structure of PDB 7r5q Chain C Binding Site BS01

Receptor Information
>7r5q Chain C (length=311) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNITILATGGTIAGGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNV
WLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAM
RPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNT
TDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVG
IVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGT
AVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKD
PQQIQQIFNQY
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain7r5q Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r5q Structural Aspects of E. coli Type II Asparaginase in Complex with Its Secondary Product L-Glutamate.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G57 S58 Q59 G88 T89 D90 A114
Binding residue
(residue number reindexed from 1)		G42 S43 Q44 G73 T74 D75 A99
Annotation score3
Enzymatic activity
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7r5q, PDBe:7r5q, PDBj:7r5q
PDBsum7r5q
PubMed35682622
UniProtP00805|ASPG2_ECOLI L-asparaginase 2 (Gene Name=ansB)

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