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Receptor Information

>4zr5 Chain B (length=696) Species: 9986 (Oryctolagus cuniculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GICKSSDCIKSAARLIQNMDATAEPCTDFFKYACGGWLKRNVIPETSSRY
SNFDILRDELEVILKDVLQEPKTEDIVAVQKAKTLYRSCVNETAIDSRGG
QPLLKLLPDVYGWPVATQNWEQTYGTSWSAEKSIAQLNSKYGKKVLINFF
VGTDDKNSMNHIIHIDQPRLGLPSRDYYECTGIYKEACTAYVDFMIAVAK
LIRQEEGLPIDENQISVEMNKVMELEKEIANATTKSEDRNDPMLLYNKMT
LAQIQNNFSLEINGKPFSWSNFTNEIMSTVNINIPNEEDVVVYAPEYLIK
LKPILTKYSPRDLQNLMSWRFIMDLVSSLSRTYKDSRNAFRKALYGTTSE
SATWRRCANYVNGNMENAVGRLYVEAAFAGESKHVVEDLIAQIREVFIQT
LDDLTWMDAETKKKAEEKALAIKERIGYPDDIVSNDNKLNNEYLELNYKE
DEYFENIIQNLKFSQSKQLKKLREKVDKDEWITGAAIVNAFYSSGRNQIV
FPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDGDLV
DWWTQQSANNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGG
IGQAYRAYQNYVKKNGEEKLLPGIDLNHKQLFFLNFAQVWCGTYRPEYAV
NSIKTDVHSPGNFRIIGSLQNSVEFSEAFQCPKNSYMNPEKKCRVW

Ligand ID

RDF

InChI

InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1

InChIKey

ZPHBZEQOLSRPAK-XLCYBJAPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O
ACDLabs 10.04	O=P(OC1OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CC(C)C
OpenEye OEToolkits 1.5.0	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O
CACTVS 3.341	CC(C)C[C@H](N[P@@](O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O
CACTVS 3.341	CC(C)C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc23)C(O)=O

Formula

C23 H34 N3 O10 P

Name

N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN;
PHOSPHORAMIDON

PDB chain

4zr5 Chain B Residue 802 [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	4zr5 Structures of soluble rabbit neprilysin complexed with phosphoramidon or thiorphan.
Resolution	2.8016 Å
Binding residue (original residue number in PDB)	R103 F107 D108 V542 N543 A544 F545 V581 E585 E647 H712 R718
Binding residue (residue number reindexed from 1)	R49 F53 D54 V488 N489 A490 F491 V527 E531 E593 H658 R664
Annotation score	1
Binding affinity	BindingDB: IC50=6nM

Catalytic site (original residue number in PDB)	H584 E585 H588 E647 D651 H712 R718
Catalytic site (residue number reindexed from 1)	H530 E531 H534 E593 D597 H658 R664
Enzyme Commision number	3.4.24.11: neprilysin.

	Molecular Function
GO:0004222	metalloendopeptidase activity
GO:0008237	metallopeptidase activity
GO:0008270	zinc ion binding
GO:0042277	peptide binding
GO:0046872	metal ion binding

	Biological Process
GO:0001822	kidney development
GO:0006508	proteolysis
GO:0006518	peptide metabolic process
GO:0010814	substance P catabolic process
GO:0010815	bradykinin catabolic process
GO:0016485	protein processing
GO:0019233	sensory perception of pain
GO:0042447	hormone catabolic process
GO:0046449	creatinine metabolic process
GO:0050435	amyloid-beta metabolic process
GO:0071345	cellular response to cytokine stimulus
GO:0071492	cellular response to UV-A
GO:0071493	cellular response to UV-B
GO:0090399	replicative senescence
GO:0097242	amyloid-beta clearance

	Cellular Component
GO:0005737	cytoplasm
GO:0005886	plasma membrane
GO:0005903	brush border
GO:0008021	synaptic vesicle
GO:0030424	axon
GO:0030425	dendrite
GO:0044306	neuron projection terminus
GO:0045202	synapse

PDB	RCSB:4zr5, PDBe:4zr5, PDBj:4zr5
PDBsum	4zr5
PubMed	31204686
UniProt	P08049\|NEP_RABIT Neprilysin (Gene Name=MME)

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Structure of PDB 4zr5 Chain B Binding Site BS02