Structure of PDB 4xbh Chain B Binding Site BS01

Receptor Information
>4xbh 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 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 chain4xbh Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xbh Structures of soluble rabbit neprilysin complexed with phosphoramidon or thiorphan.
Resolution2.114 Å
Binding residue
(original residue number in PDB)		H584 H588 E647
Binding residue
(residue number reindexed from 1)		H530 H534 E593
Annotation score1
Enzymatic activity
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.
Gene Ontology
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xbh, PDBe:4xbh, PDBj:4xbh
PDBsum4xbh
PubMed31204686
UniProtP08049|NEP_RABIT Neprilysin (Gene Name=MME)

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