Structure of PDB 1apz Chain B Binding Site BS01

Receptor Information
>1apz Chain B (length=141) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIGMVVIHKTGHIAAGTSTNGIKFKIHGRVGDSPIPGAGAYADDTAGAAA
ATGNGDILMRFLPSYQAVEYMRRGEDPTIACQKVISRIQKHFPEFFGAVI
CANVTGSYGAACNKLSTFTQFSFMVYNSEKNQPTEEKVDCI
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 chain1apz Chain B Residue 551 [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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PDB1apz Three-dimensional structure of human lysosomal aspartylglucosaminidase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T183 R211 D214 T234 G235 G237
Binding residue
(residue number reindexed from 1)		T1 R29 D32 T52 G53 G55
Annotation score5
Binding affinityBindingDB: Ki=600000nM
Enzymatic activity
Catalytic site (original residue number in PDB) T183 T201 R211 T234 G235
Catalytic site (residue number reindexed from 1) T1 T19 R29 T52 G53
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:1apz, PDBe:1apz, PDBj:1apz
PDBsum1apz
PubMed8846222
UniProtP20933|ASPG_HUMAN N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase (Gene Name=AGA)

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