Structure of PDB 6nff Chain A Binding Site BS02

Receptor Information
>6nff Chain A (length=794) Species: 1587 (Lactobacillus helveticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKYNQYAYVETDFQQQVKELIDINFLPKNYQVWDFGSLLAKLVKNAIAE
AKTDAAKNAKLAEFAVSDHQTLADFLKEKPTEIGTKQFYNVALQLLGYHV
HYDYDFADPTGFMQRNALPFLQDISDNQKLISAFYRLLNTRAKNGQILLD
VMAGKGYFTQFWGQNKFKFFNGKSIPVFDTNKVIREVVYVETDLDTDHDG
KSDLIQVTVFRPEETNKGLKVPALYTASPYFGGIIANEKRNHNVDENLSD
STEWNDPQYVHSPIVKAEKPDGSSRPATEEAVHKSSYPLNEYMLARGFAS
VFAGAIGTRGSDGVRITGAPEETESAAAVIEWLHGDRVAYTDRTRTVRTT
ADWCNGNIGMTGRSYLGTLQIAIATTGVKGLKTVVSEAAISSWYDYYREH
GSVIAPEACQGEDLDLLAETCQSNLWDAGSYLKIKPEYDKMQKQLREKED
RNTGQYSDFWEAGNYRHHADGIKCSWISVHGLNDWNVKPKNVYKIWQLVK
KMPMKHHLFLHQGPHYNMNNLVSIDFTDLMNLWFVHELLGIENNAYNQWP
TVMIQDNLQADKWHEEPDWSNDLGQEKIYYPTDEGELFQDGNGKAQKSFT
DVGGIEFKKAGISESDWQYKFICGDEKWAKPSLRFETDEFTHPTTIVGRP
EVKVRVSASLPKGEISVALVELGERQRLTATPKFLMHGGQELGYRFGTDT
LQEFVPDKKTKAKLITKAHMNLQNFKDMKKPEAIDADKFYDLDFLLQPTY
YTIPSGSKLALIIYSTDQGMTKRPLEDETYTIDLANTEIKFYEK
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain6nff Chain A Residue 802 [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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PDB6nff Structural characterization of a prolyl aminodipeptidase (PepX) from Lactobacillus helveticus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H399 K493 R648
Binding residue
(residue number reindexed from 1)		H400 K494 R649
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.14.11: Xaa-Pro dipeptidyl-peptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0008239 dipeptidyl-peptidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6nff, PDBe:6nff, PDBj:6nff
PDBsum6nff
PubMed31584010
UniProtQ59485|PEPX_LACHE Xaa-Pro dipeptidyl-peptidase (Gene Name=pepX)

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