Structure of PDB 4r4y Chain A Binding Site BS01

Receptor Information
>4r4y Chain A (length=293) Species: 172045 (Elizabethkingia miricola) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKPIVLSTWNFGLHANVEAWKVLSKGGKALDAVEKGVRLVEDDPTERSVG
YGGRPDRDGRVTLDACIMDENYNIGSVACMEHIKNPISVARAVMEKTPHV
MLVGDGALEFALSQGFKKENLLTAESEKEWKEWLKTSQYKPIVNIENHDT
IGMIALDAQGNLSGACTTSDMAYKMHGRVGDSPIIGAGLFVDNEIGAATA
TGHGEEVIRTVGTHLVVELMNQGRTPQQACKEAVERIVKIVNRRGKNLKD
IQVGFIALNKKGEYGAYCIQDGFNFAVHDQKGNRLETPGFALK
Ligand information
Ligand IDSD4
InChIInChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyZBYVTTSIVDYQSO-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](CC(=O)NO)C(O)=O
CACTVS 3.370N[C@@H](CC(=O)NO)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)C(=O)NO
OpenEye OEToolkits 1.7.6C([C@@H](C(=O)O)N)C(=O)NO
FormulaC4 H8 N2 O4
NameN-hydroxy-L-asparagine
ChEMBLCHEMBL63902
DrugBank
ZINCZINC000002545150
PDB chain4r4y Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r4y Structural Basis of a Point Mutation that Causes the Genetic Disease Aspartylglucosaminuria.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H150 T152 D172 R180 D183 T203 G204 G206
Binding residue
(residue number reindexed from 1)		H148 T150 D170 R178 D181 T201 G202 G204
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) T152 T170 R180 T203 G204
Catalytic site (residue number reindexed from 1) T150 T168 R178 T201 G202
Enzyme Commision number 3.5.1.26: N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase.
Gene Ontology
Molecular Function
GO:0003948 N4-(beta-N-acetylglucosaminyl)-L-asparaginase activity
GO:0004067 asparaginase activity
GO:0008233 peptidase activity
GO:0008798 beta-aspartyl-peptidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006508 proteolysis
GO:0006517 protein deglycosylation
Cellular Component
GO:0005737 cytoplasm
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:4r4y, PDBe:4r4y, PDBj:4r4y
PDBsum4r4y
PubMed25456816
UniProtQ47898|ASPG_ELIMR N(4)-(Beta-N-acetylglucosaminyl)-L-asparaginase

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