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Entry information

Complex
AACDB_ID: 5061
PDBID: 7TN0
Chains: HG_I
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.85
Reference: 10.1126/science.abn8652
Antibody
Antibody: S304 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Omicron spike glycoprotein S1
Antigen mutation: Yes
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7TN0_H|Chain H, J[auth M]|S304 Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYDMHWVRQTTGKGLEWVSTIGTAGDTYYPDSVKGRFTISREDAKNSLYLQMNSLRAGDTAVYYCARGDSSGYYYYFDYWGQGTLLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: G
Mutation: NULL

>7TN0_G|Chain G, K[auth N]|S304 Fab light chain|Homo sapiens (9606)
DIQMTQSPSSLSAAVGDRVTITCRASQSIGSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFAIYYCQQSYVSPTYTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: S2T/I3G/V4T/G16D/S48L/S50P/S52F/K94N/N117K/G123S/S154N/T155K/E161A/Q170R/G173S/Q175R/N178Y/Y182H

>7TN0_I|Chain I, L[auth S]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
ETGTRFPNITNLCPFDEVFNATRFASVYAWNRKRISNCVADYSVLYNLAPFFTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSNLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLRSYSFRPTYGVGHQPYRVVVLSFELLHAPATVCGPKKSTHHHHHHHH

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)

G: ASP1 GLN27 SER28 TYR32 SER91 TYR92 VAL93 SER94 PRO95 THR96 TYR97

H: ASP33 THR50 GLY52 THR53 ALA54 GLY55 ASP56 THR57 TYR58 TYR59 LYS64 GLY65 ASP99 SER100 GLY102 TYR103 TYR105

I: TYR369 PRO373 PHE374 PHE375 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 LYS386 ASN388 LEU390 PHE392 PRO412 GLY413 GLN414 ASP427 ASP428 PHE429 THR430 LEU517

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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