Structure of PDB 4xn2 Chain A Binding Site BS02

Receptor Information
>4xn2 Chain A (length=866) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRHGASDAPLRL
NGEDLKLVSVHINDEPWTAWKEEEGALVISNLPERFTLKIINEISPAANT
ALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKYPF
LLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTTR
SGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIVA
VDFFNAGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNWT
GNRVTCRDWFQLSLKEGLTVFRDQEFSSDLGSRAVNRINNVRTMRGLQFA
EDASPMAHPIRPDMVIEMNNFYTLTVYEKGAEVIRMIHTLLGEENFQKGM
QLYFERHDGSAATCDDFVQAMEDASNVDLSHFRRWYSQSGTPIVTVKDDY
NPETEQYTLTISQRTPATPDQAEKQPLHIPFAIELYDNEGKVIPLQKGGH
PVNSVLNVTQAEQTFVFDNVYFQPVPALLCEFSAPVKLEYKWSDQQLTFL
MRHARNDFSRWDAAQSLLATYIKLNVARHQQGQPLSLPVHVADAFRAVLL
DEKIDPALAAEILTLPSVNEMAELFDIIDPIAIAEVREALTRTLATELAD
ELLAIYNANYQSEYRVEHEDIAKRTLRNACLRFLAFGETHLADVLVSKQF
HEANNMTDALAALSAAVAAQLPCRDALMQEYDDKWHQNGLVMDKWFILQA
TSPAANVLETVRGLLQHRSFTMSNPNRIRSLIGAFAGSNPAAFHAEDGSG
YLFLVEMLTDLNSRNPQVASRLIEPLIRLKRYDAKRQEKMRAALEQLKGL
ENLSGDLYEKITKALA
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 chain4xn2 Chain A Residue 902 [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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PDB4xn2 Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with L-Leucine
Resolution2.11 Å
Binding residue
(original residue number in PDB)		E121 A262 M263 E264 H297 E298 E320 Y376 Y381
Binding residue
(residue number reindexed from 1)		E117 A258 M259 E260 H293 E294 E316 Y372 Y377
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) E260 H293 E294 H297 E316 N369 Y377
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:4xn2, PDBe:4xn2, PDBj:4xn2
PDBsum4xn2
PubMed
UniProtP04825|AMPN_ECOLI Aminopeptidase N (Gene Name=pepN)

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