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Entry information

Complex
AACDB_ID: 4717
PDBID: 7R6W
Chains: HL_R
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 1.83
Reference: 10.1038/s41586-021-03807-6
Antibody
Antibody: S2X35 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

>7R6W_H|Chain D[auth H]|Heavy Chain of Fab domain of monoclonal antibody S2X35|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYGISWVRQAPGQGLEWMGWISAYKGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARPDYQVLGYDFWIGYYGMDVWGQGTTVIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>7R6W_L|Chain C[auth L]|Light Chain of Fab domain of monoclonal antibody S2X35|Homo sapiens (9606)
QSVLTQPPSVSGAPGQRVTISCTGSSSNIGAGYDVHWYQQLPGTAPKLLIYGNTNRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDSSLSGSEVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: R
Mutation: NULL

>7R6W_R|Chain E[auth R]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
ETGTRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTHHHHHHHH

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: GLY32 TYR33 ASP34 TYR93 SER95 SER96 LEU97 SER98 GLY99 SER100

H: TYR54 LYS55 ASN57 ASN59 TYR101 VAL103 LEU104 GLY105 TYR106 ASP107 PHE108 TRP109 TYR112 TYR113

R: TYR369 ASN370 SER371 ALA372 PHE374 SER375 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 ARG403 GLY404 ASP405 VAL407 ARG408 GLY496 GLN498 THR500 ASN501 GLY502 VAL503 GLY504 TYR505 TYR508

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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