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Entry information

Complex
AACDB_ID: 5843
PDBID: 8BE1
Chains: AB_C
Organism: Mus musculus, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 1.98
Reference: 10.1101/2023.01.10.523494
Antibody
Antibody: mRBD2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>8BE1_A|Chain A, D|Antibody heavy chain|Mus musculus (10090)
MQVQLQQSGAELARPGASVKLSCKASGYTFISNGISWVKQRTGQGLEWIGEIYPRNGNTYYNEKFKGKATLTADKSSSTAYMELRSLTSEDSAVFFCARDYYYGSFDYWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSQTVTCNVAHPASSTKVDKKIVPRDCGSSHHHHHH

Light Chain: B
Mutation: NULL

>8BE1_B|Chain B, E|Antibody light chain|Mus musculus (10090)
MDIQMTQSPSSLSASLGERVSLTCRASREISGYLTWLQQKPDGTIKRLIYAASTLDSGVPKRFSGSRSGSDYSLTISSLESEDFADYYCLQYASYPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: C
Mutation: NULL

>8BE1_C|Chain C, F|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
GSGTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP

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)

A: SER31 ASN32 GLY33 GLU50 ARG53 ASN54 ASN56 THR57 TYR58 ASP95 TYR96 TYR97 TYR98

B: TYR32 TYR91 ALA92 SER93 TYR94 TRP96

C: TYR421 LEU455 PHE456 ARG457 TYR473 GLN474 ALA475 GLY476 SER477 THR478 PRO479 PHE486 ASN487 TYR489

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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