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Entry information

Complex
AACDB_ID: 6145
PDBID: 8EOO
Chains: AB_C
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.77
Reference: 10.1128/jvi.01596-22
Antibody
Antibody: WRAIR-2151 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>8EOO_A|Chain A, F|WRAIR-2151 antibody Fab heavy chain|Homo sapiens (9606)
QVQLQESGPRLVKPSETLSLTCTVSGGSISGSNYFWGWIRQPPGKGLEWIGTIYYGGSTYYNPSLKSRVTISVDTSENQFSLKLSSVTAADTAVYYCANLAWLRGYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: B
Mutation: NULL

>8EOO_B|Chain B, I[auth K]|WRAIR-2151 antibody Fab light chain|Homo sapiens (9606)
NFMLTQPHSVSESPGKTVTISCTRSSGSIASNYVQWYQQRPGSAPTTVIYEDNQRPSGVPDRFSGSIDSSSNSVSLTISGLKTEDEADYYCQSYDSSNWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: C
Mutation: NULL

>8EOO_C|Chain C, D|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPGSHHHHHH

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: ASN33 TYR52 TYR58 ALA96 TRP97 LEU98 ARG99

B: SER27 ALA29 SER30 ASN31 TYR32 TYR49 GLU50 ASP51 SER66 TYR91 ASP92 SER93 SER94

C: TYR369 ASN370 SER371 ALA372 PHE374 SER375 THR376 PHE377 LYS378 CYS379 VAL382 SER383 PRO384 THR385 ARG408 GLN414

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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