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Entry information

Complex
AACDB_ID: 3391
PDBID: 7BEH
Chains: HL_E
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.30
Reference: 10.1016/j.cell.2021.02.032
Antibody
Antibody: COVOX-316 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

>7BEH_H|Chain B[auth H]|COVOX-316 heavy chain|Homo sapiens (9606)
ILFLVATATGVHSQVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTNYTQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYSCARDMAFSMVRGSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: L
Mutation: NULL

>7BEH_L|Chain C[auth L]|COVOX-316 light chain|Homo sapiens (9606)
ILFLVATATGVHSQAVLTQPPSASGSPGQSVTISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYEVSKRPSGVPDRFSGSKSGNTASLTVSGLQAEDEADYYCSSYAGSNHWVFGGGTKLTVLGQPKAAPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: E
Mutation: P204K

>7BEH_E|Chain A[auth E]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
ETGHHHHHHTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGKK

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: TYR27 THR28 PHE29 THR30 GLY31 TYR33 TRP50 ASN52 ASN54 SER55 GLY57 ASN59 THR74 SER75 SER77 PHE102 SER103 MET104 VAL105 ARG106

L: TYR32 TYR34 TYR93 ASN97 TRP99

E: LYS444 GLY446 GLY447 TYR449 LEU452 TYR453 LEU455 PHE456 VAL483 GLU484 GLY485 PHE486 ASN487 TYR489 PHE490 LEU492 GLN493 SER494 GLY496 GLN498

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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