Structure of PDB 1apz Chain D Binding Site BS01
Receptor Information
>1apz Chain D (length=141) Species:
9606
(Homo sapiens) [
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TIGMVVIHKTGHIAAGTSTNGIKFKIHGRVGDSPIPGAGAYADDTAGAAA
ATGNGDILMRFLPSYQAVEYMRRGEDPTIACQKVISRIQKHFPEFFGAVI
CANVTGSYGAACNKLSTFTQFSFMVYNSEKNQPTEEKVDCI
Ligand information
Ligand ID
ASP
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
CKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0
C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370
N[CH](CC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01
O=C(O)CC(N)C(=O)O
Formula
C4 H7 N O4
Name
ASPARTIC ACID
ChEMBL
CHEMBL274323
DrugBank
DB00128
ZINC
ZINC000000895032
PDB chain
1apz Chain D Residue 552 [
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Receptor-Ligand Complex Structure
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PDB
1apz
Three-dimensional structure of human lysosomal aspartylglucosaminidase.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
T183 R211 T234 G235 G237
Binding residue
(residue number reindexed from 1)
T1 R29 T52 G53 G55
Annotation score
5
Binding affinity
BindingDB: 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
PDBsum
1apz
PubMed
8846222
UniProt
P20933
|ASPG_HUMAN N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase (Gene Name=AGA)
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