Structure of PDB 4dyo Chain A Binding Site BS03

Receptor Information
>4dyo Chain A (length=457) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKARKEAVQTAAKELLKFVNRSPSPFHAVAECRNRLLQAGFSELKETEKW
NIKPESKYFMTRNSSTIIAFAVGGQYVPGNGFSLIGAHTDSPCLRVKRRS
RRSQVGFQQVGVETYGGGIWSTWFDRDLTLAGRVIVKCPTSGRLEQQLVH
VERPILRIPHLAIHLQRNINENFGPNTEMHLVPILATAIQEELEKGTERH
HSVLMSLLCAHLGLSPKDIVEMELCLADTQPAVLGGAYDEFIFAPRLDNL
HSCFCALQALIDSCAGPGSLATEPHVRMVTLYDNEEVGSESAQGAQSLLT
ELVLRRISASCQHPTAFEEAIPKSFMISADMAHAVHPNYLDKHEENHRPL
FHKGPVIKVNSKQRYASNAVSEALIREVANKVKVPLQDLMVRNDTPCGTT
IGPILASRLGLRVLDLGSPQLAMHSIREMACTTGVLQTLTLFKGFFELFP
SLAENLY
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 chain4dyo Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4dyo Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H94 D264 E301 E302 D346 K374 Y381 H440
Binding residue
(residue number reindexed from 1)		H88 D248 E285 E286 D330 K358 Y365 H424
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.11.21: aspartyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0006518 peptide metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0072562 blood microparticle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4dyo, PDBe:4dyo, PDBj:4dyo
PDBsum4dyo
PubMed22720794
UniProtQ9ULA0|DNPEP_HUMAN Aspartyl aminopeptidase (Gene Name=DNPEP)

[Back to BioLiP]