Structure of PDB 4pu2 Chain A Binding Site BS01

Receptor Information
>4pu2 Chain A (length=864) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVHYLKDYQTPAYHILKTDLHFDINEPQTVVKSRLTVEPQRVGEPLVLDG
SAKLLSVKINGAAADYVLEGETLTIAGVPSERFTVEVETEILPAENKSLM
GLYASGGNLFTQCEPEGFRKITFYIDRPDVMSKFTTTIVADKKRYPVLLS
NGNKIDGGEFSDGRHWVKWEDPFSKPSYLFALVAGDLAVTEDYFTTMSGR
NVKIEFYTTEADKPKVGFAVESLKNAMKWDETRFGLEYDLDIFMVVAVGD
FNMGAMENKGLNIFNTKFVLADSRTATDTDFEGIESVVGHEYFHNWTGNR
VTCRDWFQLSLKEGLTVFRDQEFSGDRASRAVRRIENIRLLRQHQFPEDA
GPTAHPVRPASYEEMNNFYTMTVYEKGAEVVRMYHTLLGEEGFQKGMKLY
FQRHDGQAVTCDDFRAAMADANGINLDQFALWYSQAGTPVLEAEGRLKNN
IFELTVKQTVPPTPDMTDKQPMMIPVKVGLLNRNGEAVAFDYQGKRATEA
VLLLTEAEQTFLLEGVTEAVVPSLLRGFSAPVHLNYPYSDDDLLLLLAHD
SDAFTRWEAAQTLYRRAVAANLATLSDGVELPKHEKLLAAVEKVISDDLL
DNAFKALLLGVPSEAELWDGAENIDPLRYHQAREALLDTLAVHFLPKWHE
LNRQAAKQENQSYEYSPEAAGWRTLRNVCRAFVLRADPAHIETVAEKYGE
MAQNMTHEWGILSAVNGNESDTRNRLLAQFADKFSDDALVMDKYFALVGS
SRRSDTLQQVRTALQHPKFSLENPNKARSLIGSFSRNVPHFHAEDGSGYR
FIADKVIEIDRFNPQVAARLVQAFNLCNKLEPHRKNLVKQALQRIRAQEG
LSKDVGEIVGKILD
Ligand information
Ligand IDPLU
InChIInChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1
InChIKeyHGCAUCAWEADMPM-RXMQYKEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)C[CH](N)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(C)C[C@H](N)P(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)CC(N)P(=O)(O)O
CACTVS 3.341CC(C)C[C@H](N)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(N)CC(C)C
FormulaC5 H14 N O3 P
NameLEUCINE PHOSPHONIC ACID
ChEMBLCHEMBL40422
DrugBankDB02386
ZINCZINC000002047807
PDB chain4pu2 Chain A Residue 901 [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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PDB4pu2 Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine
Resolution2.095 Å
Binding residue
(original residue number in PDB)		E117 M256 A258 M259 E260 H293 E294 H297 E316 Y377
Binding residue
(residue number reindexed from 1)		E114 M253 A255 M256 E257 H290 E291 H294 E313 Y374
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E260 H293 E294 H297 E316 N369 Y377
Catalytic site (residue number reindexed from 1) E257 H290 E291 H294 E313 N366 Y374
Enzyme Commision number 3.4.11.2: membrane alanyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4pu2, PDBe:4pu2, PDBj:4pu2
PDBsum4pu2
PubMed
UniProtQ9JYV4

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