Structure of PDB 2wlt Chain A Binding Site BS01

Receptor Information
>2wlt Chain A (length=326) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPTIALLATGGTIAGSGASLGSYKSGELGVKELLKAIPSLNKIARIQGEQ
VSNIGSQDMNEEIWFKLAQRAQELLDDSRIQGVVITHGTDTLEESAYFLN
LVLHSTKPVVLVGAMRNASSLSADGALNLYEAVSVAVNEKSANKGVLVVM
DDTIFSVREVVKTHTTHVSTFKALNSGAIGSVYYGKTRYYMQPLRKHTTE
SEFSLSQLKTPLPKVDIIYTHAGMTPDLFQASLNSHAKGVVIAGVGNGNV
SAGFLKAMQEASQMGVVIVRSSRVGSGGVTSGEIDDKAYGFITSDNLNPQ
KARVLLQLALTKTNDKAKIQEMFEEY
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 chain2wlt Chain A Residue 1333 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wlt Structure of Helicobacter Pylori L-Asparaginase at 1.4 A Resolution
Resolution1.4 Å
Binding residue
(original residue number in PDB)		T16 S31 G61 S62 Q63 G94 T95 D96
Binding residue
(residue number reindexed from 1)		T12 S25 G55 S56 Q57 G88 T89 D90
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T16 Y29 T95 D96 K168 E289
Catalytic site (residue number reindexed from 1) T12 Y23 T89 D90 K162 E283
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:2wlt, PDBe:2wlt, PDBj:2wlt
PDBsum2wlt
PubMed19966411
UniProtQ9ZLB9|ASPG_HELPJ Probable L-asparaginase (Gene Name=ansA)

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