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Entry information

Complex
AACDB_ID: 3397
PDBID: 7BEL
Chains: HL_R
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.53
Reference: 10.1016/j.cell.2021.02.032
Antibody
Antibody: COVOX-88 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein RBD
Antigen mutation: Yes
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7BEL_H|Chain C[auth E], H|COVOX-88 heavy chain|Homo sapiens (9606)
ILFLVATATGVHSQLQLQESGPGLVKPSQTLSLTCTVSGGSISSGSYNWTWIRQPAGKGLEWIGRIYNSGSTNYNPSLKSRVTISVDTSKNQLSLKVRSVTAADTAVYYCARHCSGGTCYPKYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: L
Mutation: NULL

>7BEL_L|Chain D[auth F], I[auth L]|COVOX-88 light chain|Homo sapiens (9606)
ILFLVATATGSWAQSALTQPPSVSEAPRQRVTISCSGSSSNIGNNAVNWYQQFPGKAPKLLIYYDDLLPSGVSDRFSGSKSGTSASLAISGVQSEDEADYYCAAWDDSLNVVVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: R
Mutation: P204K

>7BEL_R|Chain A[auth R], F[auth X]|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: SER33 TYR34 ASN35 TYR54 ASN55 SER102 GLY103 GLY104 THR105 LYS109 TYR111 TYR112

L: TYR51 ASP52 ASP53 LEU54 LEU55 ASP61 PHE63 SER64 GLY65 SER66 LYS67 SER68 GLY69

R: ARG403 ASP405 GLU406 ARG408 GLN409 THR415 GLY416 LYS417 TYR421 TYR453 LEU455 PHE456 TYR473 ALA475 GLU484 GLY485 PHE486 ASN487 CYS488 TYR489 PHE490 GLN493 THR500 ASN501 GLY502 TYR505

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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