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Entry information

Complex
AACDB_ID: 489
PDBID: 3FMG
Chains: HL_A
Organism: Mus musculus, Simian rotavirus
Method: XRD
Resolution (Å): 3.40
Reference: 10.1126/science.1170481
Antibody
Antibody: 4FB Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Glycoprotein VP7
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3FMG_H|Chain B[auth H]|Fab of neutralizing antibody 4F8, heavy chain|Mus musculus (10090)
QVQLQQSGAELMKPGALVKISCKATGYTFSSYWIEWVKQRPGHGLEWIGEILPGSGSINYNEKFKGKATFTADTSSNTAYMQLNSLTSEDSAVYYCARNHGSPDFHVMDYWGQGTSITVSSAKTTAPPVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPR

Light Chain: L
Mutation: NULL

>3FMG_L|Chain A[auth L]|Fab of neutralizing antibody 4F8, light chain|Mus musculus (10090)
DIQMTQSPASLSASVGETVTITCRPSENIYSYLAWYQQKQGKSPQLLVYKAKTLPEGVPSRFSGSGSGTHFSLKISSVQPEDFGTYYCQHHNGPPLTFGAGTKLELKRADAAPTVSIFPPSSKQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR

Antigen

Chain: A
Mutation: NULL

>3FMG_A|Chain C[auth A]|Glycoprotein VP7|Simian rotavirus (10922)
QNYGINLPITGSMDTAYANSTQEETFLTSTLCLYYPTEAATEINDNSWKDTLSQLFLTKGWPTGSVYFKEYTDIASFSVDPQLYCDYNVVLMKYDATLQLDMSELADLILNEWLCNPMDITLYYYQQTDEANKWISMGSSCTIKVCPLNTQTLGIGCLTTDTATFEEVATAEKLVITDVVDGVNHKLDVTTATCTIRNCKKLGPRENVAVIQVGGSDVLDITADPTTAPQTERMMRINWKKWWQVFYTVVDYVNQIIQAMSKRSRSLNSAAFYYRI

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)

L: PRO94 PRO95

H: SER56 GLY57 SER58 ILE59 ASN60 TYR61 GLU63 LYS66

A: LYS194 LEU208 THR210 ASP211 THR212 ALA213 THR214 PHE215 GLU217 THR220

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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