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Entry information

Complex
AACDB_ID: 3794
PDBID: 7JN5
Chains: HL_F
Organism: Homo sapiens, Severe acute respiratory syndrome-related coronavirus
Method: XRD
Resolution (Å): 2.71
Reference: 10.1371/journal.ppat.1009089
Antibody
Antibody: CR3022 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein RBD
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7JN5_H|Chain A[auth H]|CR3022 heavy chain|Homo sapiens (9606)
QMQLVQSGTEVKKPGESLKISCKGSGYGFITYWIGWVRQMPGKGLEWMGIIYPGDSETRYSPSFQGQVTISADKSINTAYLQWSSLKASDTAIYYCAGGSGISTPMDVWGQGTTVTVVSRRLPPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>7JN5_L|Chain B[auth L]|CR3022 light chain|Homo sapiens (9606)
DIQLTQSPDSLAVSLGERATINCKSSQSVLYSSINKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: F
Mutation: NULL

>7JN5_F|Chain C[auth F]|Spike glycoprotein|Human SARS coronavirus (694009)
RVVPSGDVVRFPNITNLCPFGEVFNATKFPSVYAWERKKISNCVADYSVLYNSTFFSTFKCYGVSATKLNDLCFSNVYADSFVVKGDDVRQIAPGQTGVIADYNYKLPDDFMGCVLAWNTRNIDATSTGNHNYKYRYLRHGKLRPFERDISNVPFSPDGKPCTPPALNCYWPLNDYGFYTTTGIGYQPYRVVVLSFELLNAPATVCGPKLSTDLIKNQCVNFSGHHHHHH

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 TYR27 GLY28 ILE30 THR31 TYR32 TRP33 GLY53 ASP54 GLU56 ARG58 LYS73 SER96 GLY97 ILE98 SER99 ASP101

L: SER27 ILE28 TYR32 LEU46 TYR49 TRP50 THR53 GLU55 TYR92

F: LEU355 TYR356 ASN357 SER358 PHE361 SER362 THR363 PHE364 LYS365 CYS366 TYR367 GLY368 VAL369 SER370 ALA371 THR372 LYS373 ASP376 LEU377 PHE379 ARG395 ASP415 MET417 GLU502

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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