Structure of PDB 2gl9 Chain B Binding Site BS01

Receptor Information
>2gl9 Chain B (length=144) Species: 238 (Elizabethkingia meningoseptica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CIGMIALDAQGNLSGACTTSGMAYKMHGRVGDSPIIGAGLFVDNEIGAAT
ATGHGEEVIRTVGTHLVVELMNQGRTPQQACKEAVERIVKIVNRRGKNLK
DIQVGFIALNKKGEYGAYCIQDGFNFAVHDQKGNRLETPGFALK
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain2gl9 Chain B Residue 297 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2gl9 Crystallographic snapshot of a productive glycosylasparaginase-substrate complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C152 R180 D183 G204 G206
Binding residue
(residue number reindexed from 1)		C1 R29 D32 G53 G55
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) C152
Catalytic site (residue number reindexed from 1) C1
Enzyme Commision number 3.5.1.26: N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:2gl9, PDBe:2gl9, PDBj:2gl9
PDBsum2gl9
PubMed17157318
UniProtQ47898|ASPG_ELIMR N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase

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