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Entry information

Complex
AACDB_ID: 5691
PDBID: 7YR0
Chains: CB_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: EM
Resolution (Å): 3.98
Reference: 10.1016/j.chom.2022.09.018
Antibody
Antibody: S309 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 BA.2.75 spike glycoprotein (local)
Antigen mutation: Yes
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>7YR0_C|Chain B[auth C]|Heavy chain of S309|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVS

Light Chain: B
Mutation: NULL

>7YR0_B|Chain C[auth B]|IGK@ protein|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: G8H/S40F/S42P/S44F/T45A/D74N/R77S/K86N/N109K/G115S/N129K/S146N/T147K/E153A/Q167R/N170Y/Y174H

>7YR0_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
ITNLCPFHEVFNATRFASVYAWNRKRISNCVADYSVLYNFAPFFAFKCYGVSPTKLNDLCFTNVYADSFVIRGNEVSQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNKLDSKVSGNYNYLYRLFRKSKLKPFERDISTEIYQAGNKPCNGVAGFNCYFPLQSYGFRPTYGVGHQPYRVVVLSFELLHAPATVCGP

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)

C: PRO28 THR30 SER31 TYR32 TYR54 TYR100 GLY103 ALA104 TRP105 PHE106 GLU108 SER109 LEU110 ILE111

B: SER30 SER31 THR32 SER33 ALA52 ASP93

A: THR333 ASN334 LEU335 CYS336 PRO337 HIS339 GLU340 VAL341 ASN343 ALA344 THR345 ARG346 LYS356 ARG357 ILE358 SER359 ASN360 CYS361 LYS440 LEU441

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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