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Entry information

Complex
AACDB_ID: 2725
PDBID: 6PV8
Chains: HI_B
Organism: Homo sapiens, Escherichia coli O11, Mus musculus
Method: EM
Resolution (Å): 3.87
Reference: 10.1016/j.neuron.2019.07.030
Antibody
Antibody: 4G9 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: nicotinic acetylcholine receptor beta4
Antigen mutation: No
Durg Target: P0ABE7

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6PV8_H|Chain F, H|IgG2b Fab heavy chain|Mus musculus (10090)
QVQLQQSGPELVRPGVSVKISCKGSGYTFTDYALYWVRQSHAKSLEWIGVINPYSGNTNYNQKFKGKATMTVDKSSSTAYMELARLTSDDSAIYYCASGYDGYPYTMDYWGPGASVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEP

Light Chain: I
Mutation: NULL

>6PV8_I|Chain G, I|Kappa Fab light chain|Mus musculus (10090)
QIVLTQSPAIMSASPGEKVTMTCSASSSMTYMHWYQQKSGTSPKRWIYDTSQLASGVPARFRGSGSGTSFSLTISSMEAEDAATYYCQQWSSNPLTFGGGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: B
Mutation: NULL

>6PV8_B|Chain B, C, E|Fusion protein of Neuronal acetylcholine receptor subunit beta-4 and Soluble cytochrome b562|Homo sapiens (9606)
RVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQLSLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNNADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTEIDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLMFTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAFPADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLSGRFRQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLPPLFQTHAASEGPYAAQRDSAWSHPQFEK

Interaction

1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.

Interacting residues (ΔSASA based)

H: VAL69 ASN78 GLN81 TYR122 TYR124

I: TYR53 TRP112 SER113 SER114 ASN115

B: ARG1 VAL2 ALA3 LYS8

2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.

Interacting residues (Atom distance based)

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