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Entry information

Complex
AACDB_ID: 6147
PDBID: 8EOO
Chains: HL_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-2063 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: H
Mutation: NULL

>8EOO_H|Chain E, G[auth H]|WRAIR-2063 antibody Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGPLGSNYFNYDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>8EOO_L|Chain H[auth J], J[auth L]|WRAIR-2063 antibody Fab light chain|Homo sapiens (9606)
DVVMTQSPLSLPVTLGQPASISCRSSQSLEYSDGNTYLNWFQQRPGQSPRRLIYKVSKRDSGVPDRFSGSGSGSDFTLKISRVEAEDVGVYYCMQGTHWPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

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)

H: TYR52 SER55 ASN56 TYR58 LYS64 LEU97 GLY98 SER99

L: ASP1 VAL3 SER26 SER27 ASP28 THR92 HIS93 TRP94 PRO95

C: TRP353 ASN354 ARG355 ARG357 TYR396 PRO426 ASP428 ARG457 LYS458 LYS462 PRO463 PHE464 GLU465 ARG466 ASP467 ILE468 SER469 GLU471 SER514 PHE515 GLU516 LEU518

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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