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Entry information

Complex
AACDB_ID: 4278
PDBID: 7M7W
Chains: EF_R
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.65
Reference: 10.1038/s41586-021-03807-6
Antibody
Antibody: S2H97 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: E
Mutation: NULL

>7M7W_E|Chain D[auth C], H[auth E]|Monoclonal antibody S2H97 Fab heavy chain|Homo sapiens (9606)
QVRLVQSGAEVKKSGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSISTVYLQWSSLKASDTAMYYCARQWSHYTYDYYYWGQGTLVTISSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: F
Mutation: NULL

>7M7W_F|Chain C[auth D], G[auth F]|Monoclonal antibody S2H97 Fab light chain|Homo sapiens (9606)
QSVLTQPASVSGSPGQSITISCTGISSDVGGYNSVSWYQQHPGKAPKLMIYDVTNRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTPPYVFGTGTKVSVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: R
Mutation: NULL

>7M7W_R|Chain I[auth R], J[auth S]|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)

Chain residues position delta_SASA : residuesposition

F: GLY30 TYR32 TYR51 ASP52 ASN55 ARG56 PRO57 SER58

E: TYR27 SER28 THR30 SER31 TYR32 TRP33 TYR52 ASP55 ASP57 ARG59 TRP100 SER101 HIS102 TYR103 THR104 TYR105 TYR108

R: TRP353 ARG355 ARG357 THR393 ASN394 TYR396 PRO426 ASP427 ASP428 PHE429 THR430 SER459 ASN460 LYS462 PRO463 PHE464 GLU465 ARG466 SER514 PHE515 GLU516 LEU518 HIS519 ALA520 PRO521

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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