Structure of PDB 5mfr Chain A Binding Site BS01

Receptor Information
>5mfr Chain A (length=868) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQPQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRHGASDAPL
RLNGEDLKLVSVHINDEPWTAWKEEEGALVISNLPERFTLKIINEISPAA
NTALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKY
PFLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFT
TRSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMI
VAVDFFNMGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHN
WTGNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQ
FAEDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQK
GMQLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKD
DYNPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNEGKVIPLQKG
GHPVNSVLNVTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLT
FLMRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAV
LLDEKIDPALAAEILTLPSVNEMAELFDIIDPIAIAEVREALTRTLATEL
ADELLAIYNANYQSEYRVEHEDIAKRTLRNACLRFLAFGETHLADVLVSK
QFHEANNMTDALAALSAAVAAQLPCRDALMQEYDDKWHQNGLVMDKWFIL
QATSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDG
SGYLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLK
GLENLSGDLYEKITKALA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5mfr Chain A Residue 1001 [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]
PDB5mfr Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H297 H301 E320
Binding residue
(residue number reindexed from 1)		H295 H299 E318
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E264 H297 E298 H301 E320 N373 Y381
Catalytic site (residue number reindexed from 1) E262 H295 E296 H299 E318 N371 Y379
Enzyme Commision number 3.4.11.2: membrane alanyl 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
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5mfr, PDBe:5mfr, PDBj:5mfr
PDBsum5mfr
PubMed28383176
UniProtP04825|AMPN_ECOLI Aminopeptidase N (Gene Name=pepN)

[Back to BioLiP]