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Entry information

Complex
AACDB_ID: 5853
PDBID: 8BSF
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.20
Reference: 10.1371/journal.pone.0284173
Antibody
Antibody: 3D2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: Yes
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>8BSF_H|Chain B[auth H]|3D2 FAB HEAVY CHAIN|Homo sapiens (9606)
EVQLVQSGAEVKKPGDSLKISCKGSGYSFANYWIGWVRQKPGKGLEWMGIIYPGDSDTRYSPSSLGQVSISVDKSISTAYLQWSSLKASDTAMYYCARHPIHGYGSGSLYNPDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT

Light Chain: L
Mutation: NULL

>8BSF_L|Chain C[auth L]|3D2 FAB LIGHT CHAIN|Homo sapiens (9606)
QSVLTQPPSVSAAPGQKVTISCSGSNSNIGINYVSWYQQLPETAPKLLIYENNQRPSGIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDTSLGAYVFGTGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: K99N/E166K/N183Y

>8BSF_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: ASN31 TRP33 TYR52 ASP55 ASP57 THR58 ARG59 TYR60 PRO62 LEU65 ILE101 GLY103 TYR104 GLY105 SER106 GLY107 SER108 LEU109 TYR110

L: ILE31 ASN32 TRP92 THR94 SER95 LEU96 GLY97

A: PHE342 ASN343 ALA344 THR345 ARG346 SER366 ALA372 SER373 PHE374 TRP436 ASN437 ASN439 ASN440 LEU441 ASP442 SER443 LYS444 VAL445 GLY446 ASN448 ASN450 TYR451 PRO499 THR500 GLN506 ARG509

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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