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Entry information

Complex
AACDB_ID: 4830
PDBID: 7S5Q
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.88
Reference: 10.1126/science.abm5835
Antibody
Antibody: COVA1-16 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 B.1.351 variant spike glycoprotein RBD
Antigen mutation: Yes
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7S5Q_H|Chain D[auth H]|COVA1-16 Heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYYMHWVRQAPGQGLEWMGIINSSGGSTSYAQKFQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARPPRNYYDRSGYYQRAEYFQHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: L
Mutation: NULL

>7S5Q_L|Chain E[auth L]|COVA1-16 Light chain|Homo sapiens (9606)
DIQLTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQRPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQYDNPPLTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: K99N/E166K/N183Y

>7S5Q_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFSGHHHHHH

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: GLN1 VAL2 TYR27 THR28 SER31 TYR32 ARG94 PRO96 ARG97 ASN98 TYR99 GLN101 HIS102

L: TYR49 ASN53 LEU54 THR56

A: TYR369 SER371 ALA372 PHE374 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 ARG408 GLN409 PRO412 GLY413 GLN414 THR415 GLY416 ASP427 ASP428 PHE429 ASN460

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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