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Entry information

Complex
AACDB_ID: 3827
PDBID: 7JX3
Chains: AB_R
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.65
Reference: 10.1016/j.cell.2020.09.037
Antibody
Antibody: S309 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>7JX3_A|Chain B[auth A]|Heavy chain of Fab domain of monoclonal antibody S309|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: B
Mutation: NULL

>7JX3_B|Chain A[auth B]|Light chain of Fab domain of monoclonal antibody S309|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: R
Mutation: NULL

>7JX3_R|Chain G[auth R]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKST

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)

B: SER30 SER31 THR32 SER33 SER68 ASP93

A: PRO28 THR30 SER31 TYR54 THR74 TYR100 GLY103 ALA104 TRP105 PHE106 GLU108 SER109 LEU110 ILE111

R: ILE332 ASN334 LEU335 PRO337 GLY339 GLU340 VAL341 PHE342 ASN343 ALA344 THR345 ARG346 ASN354 LYS356 ARG357 ILE358 SER359 ASN360 CYS361 ASN440 LEU441 VAL445 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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