Structure of PDB 7m11 Chain B Binding Site BS01

Receptor Information
>7m11 Chain B (length=302) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNITILATGGTVEVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKIN
TDCDKTDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSAD
GPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSV
NYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLNELPKVGIVYNYANAS
DLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVP
TGATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFN
QY
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain7m11 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7m11 L-asparaginase from Escherichia coli: Novel insights about the behavior of flexible part of the active site
Resolution1.83 Å
Binding residue
(original residue number in PDB)		G11 T12 S58 Q59 G88 T89 D90
Binding residue
(residue number reindexed from 1)		G11 T12 S34 Q35 G64 T65 D66
Annotation score5
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:7m11, PDBe:7m11, PDBj:7m11
PDBsum7m11
PubMed
UniProtP00805|ASPG2_ECOLI L-asparaginase 2 (Gene Name=ansB)

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