Structure of PDB 4y06 Chain A Binding Site BS01

Receptor Information
>4y06 Chain A (length=697) Species: 128785 (Pseudoxanthomonas mexicana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEGMWVPQQLPEIAGPLKKAGLKLSPQQISDLTGDPMGAVVALGGCTASF
VSPNGLVVTNHHCAYGAIQLNSTAENNLIKNGFNAPTTADEVSAGPNARV
FVLDEITDVTKDAKAAIAAAGDDALARTKALEAFEKKLIADCEAEAGFRC
RLYSFSGGNTYRLFKNLEIKDVRLAYAPPGSVGKFGGDIDNWMWPRHTGD
FAFYRAYVGKDGKPAAFSKDNVPYQPKHWLKFADQPLGAGDFVMVAGYPG
STNRYALAAEFDNTAQWTYPTIARHYKNQIAMVEAAGKQNADIQVKYAAT
MAGWNNTSKNYDGQLEGFKRIDAAGQKLREEAAVLGWLKGQGAKGQPALD
AHAKLLDLLEQSKATRDRDLTLALFNNTAMLGSATQLYRLSIEREKPNAE
RESGYQERDLPAIEGGLKQLERRYVAAMDRQLQEYWLNEYIKLPADQRVA
AVDAWLGGNDAAAVKRALDRLAGTKLGSTEERLKWFAADRKAFEASNDPA
IQYAVAVMPTLLKLEQERKTRAGENLAARPVYLQALADYKKSQGEFVYPD
ANLSLRITFGNVMGYAPKDGMEYTPFTTLEGVVAKETGQDPFDSPKALLD
AVAAKRYGGLEDKRIGSVPVNYLSDLDITGGNSGSPVLDAHGKLVGLAFD
RNWESVSSNWVFDPKMTRMIAVDGRYLRWIMQEVYPAPQLLKEMNVG
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain4y06 Chain A Residue 801 [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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PDB4y06 Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		H86 N215 W216 N330 F673 D674
Binding residue
(residue number reindexed from 1)		H62 N191 W192 N306 F649 D650
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.-
Gene Ontology
Molecular Function
GO:0008239 dipeptidyl-peptidase activity
GO:0070009 serine-type aminopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:4y06, PDBe:4y06, PDBj:4y06
PDBsum4y06
PubMed26057589
UniProtV5YM14|DAPB2_PSEMX Dipeptidyl aminopeptidase BII (Gene Name=dapb2)

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