Structure of PDB 2wt4 Chain A Binding Site BS01

Receptor Information
>2wt4 Chain A (length=315) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPTIALLATGGTIAGSGGVKELLKAIPSLNKIARIQGEQVSNIGSQDMNE
EIWFKLAQRAQELLDDSRIQGVVITHGTDTLEESAYFLNLVLHSTKPVVL
VGAMRNASSLSADGALNLYEAVSVAVNEKSANKGVLVVMDDTIFSVREVV
KTHTTHVSTFKALNSGAIGSVYYGKTRYYMQPLRKHTTESEFSLSQLKTP
LPKVDIIYTHAGMTPDLFQASLNSHAKGVVIAGVGNGNVSAGFLKAMQEA
SQMGVVIVRSSRVGSGGVTSGEIDDKAYGFITSDNLNPQKARVLLQLALT
KTNDKAKIQEMFEEY
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 chain2wt4 Chain A Residue 3613 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wt4 Structure of Helicobacter Pylori L-Asparaginase at 1.4 A Resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T16 G61 S62 Q63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		T12 G44 S45 Q46 G77 T78 D79
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T16 T95 D96 K168 E289
Catalytic site (residue number reindexed from 1) T12 T78 D79 K151 E272
Enzyme Commision number 3.5.1.1: asparaginase.
Gene Ontology
Molecular Function
GO:0004067 asparaginase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006528 asparagine metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wt4, PDBe:2wt4, PDBj:2wt4
PDBsum2wt4
PubMed19966411
UniProtQ9ZLB9|ASPG_HELPJ Probable L-asparaginase (Gene Name=ansA)

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