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Receptor Information

>4pw4 Chain A (length=865) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KTVHYLKDYQTPAYHILKTDLHFDINEPQTVVKSRLTVEPQRVGEPLVLD
GSAKLLSVKINGAAADYVLEGETLTIAGVPSERFTVEVETEILPAENKSL
MGLYASGGNLFTQCEPEGFRKITFYIDRPDVMSKFTTTIVADKKRYPVLL
SNGNKIDGGEFSDGRHWVKWEDPFSKPSYLFALVAGDLAVTEDYFTTMSG
RNVKIEFYTTEADKPKVGFAVESLKNAMKWDETRFGLEYDLDIFMVVAVG
DFNMGAMENKGLNIFNTKFVLADSRTATDTDFEGIESVVGHEYFHNWTGN
RVTCRDWFQLSLKEGLTVFRDQEFSGDRASRAVRRIENIRLLRQHQFPED
AGPTAHPVRPASYEEMNNFYTMTVYEKGAEVVRMYHTLLGEEGFQKGMKL
YFQRHDGQAVTCDDFRAAMADANGINLDQFALWYSQAGTPVLEAEGRLKN
NIFELTVKQTVPPTPDMTDKQPMMIPVKVGLLNRNGEAVAFDYQGKRATE
AVLLLTEAEQTFLLEGVTEAVVPSLLRGFSAPVHLNYPYSDDDLLLLLAH
DSDAFTRWEAAQTLYRRAVAANLATLSDGVELPKHEKLLAAVEKVISDDL
LDNAFKALLLGVPSEAELWDGAENIDPLRYHQAREALLDTLAVHFLPKWH
ELNRQAAKQENQSYEYSPEAAGWRTLRNVCRAFVLRADPAHIETVAEKYG
EMAQNMTHEWGILSAVNGNESDTRNRLLAQFADKFSDDALVMDKYFALVG
SSRRSDTLQQVRTALQHPKFSLENPNKARSLIGSFSRNVPHFHAEDGSGY
RFIADKVIEIDRFNPQVAARLVQAFNLCNKLEPHRKNLVKQALQRIRAQE
GLSKDVGEIVGKILD

Ligand ID

2X0

InChI

InChI=1S/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/m1/s1

InChIKey

NAPHUBPIUWHFCT-SECBINFHSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCC(N)P(=O)(O)O
CACTVS 3.385	N[C@@H](CCc1ccccc1)[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)C(N)CCc1ccccc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC[C@H](N)P(=O)(O)O
CACTVS 3.385	N[CH](CCc1ccccc1)[P](O)(O)=O

Formula

C9 H14 N O3 P

Name

[(1R)-1-amino-3-phenylpropyl]phosphonic acid

PDB chain

4pw4 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4pw4 Crystal structure of Aminopeptidase N in complex with phosphonic analogs of homophenylalanine
Resolution	1.85 Å
Binding residue (original residue number in PDB)	Q115 E117 M256 A258 M259 E260 H293 E294 H297 E316 Y377
Binding residue (residue number reindexed from 1)	Q113 E115 M254 A256 M257 E258 H291 E292 H295 E314 Y375
Annotation score	1

Catalytic site (original residue number in PDB)	E260 H293 E294 H297 E316 N369 Y377
Catalytic site (residue number reindexed from 1)	E258 H291 E292 H295 E314 N367 Y375
Enzyme Commision number	3.4.11.2: membrane alanyl aminopeptidase.

	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

PDB	RCSB:4pw4, PDBe:4pw4, PDBj:4pw4
PDBsum	4pw4
PubMed
UniProt	Q9JYV4

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Structure of PDB 4pw4 Chain A Binding Site BS01