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BioLiP

Structure of PDB 6v5f Chain A Binding Site BS01

Receptor Information
>6v5f Chain A (length=323) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPNITILATGGTIAGGGSATKSNYTVGKVGVENLVNAVPQLKIANVGEQV
VNIGSQDMNDNVWLTLAKKINTDCDKTDGFVITHGTDTMEETAYFLDLTV
KCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDT
VLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPF
DVSKLNELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSV
FDTLATAAKTGTAVVRSSRVPTGATTQDAEVDDAKYGFVASGTLNPQKAR
VLLQLALTQTKDPQQIQQIFNQY
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 chain6v5f Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v5f L-asparaginase from Escherichia coli: Novel insights about the behavior of flexible part of the active site
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T12 G57 S58 Q59 G88 T89 D90 A114
Binding residue
(residue number reindexed from 1)		T12 G54 S55 Q56 G85 T86 D87 A111
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T12 Y25 T89 D90 K162 E283
Catalytic site (residue number reindexed from 1) T12 Y24 T86 D87 K159 E280
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:6v5f, PDBe:6v5f, PDBj:6v5f
PDBsum6v5f
PubMed
UniProtP00805|ASPG2_ECOLI L-asparaginase 2 (Gene Name=ansB)

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