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Entry information

Complex
AACDB_ID: 5428
PDBID: 7WPH
Chains: HL_B
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.89
Reference: 10.1038/s41467-022-33284-y
Antibody
Antibody: Fab06 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein S1
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7WPH_H|Chain D[auth E], E[auth H]|Fab06 heavy chain|Homo sapiens (9606)
QVELQESGPGLVKPSGTLSLTCAVSGGSISSNNWWTWVRQPPGKGLEWIGEIHHSGGTNYNPSLKSRVTMSVDKSKNQFSLNLYSVTAADTAVYYCTRDRAGGTYSGFDFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7WPH_L|Chain C[auth D], F[auth L]|FAB06 light chain|Homo sapiens (9606)
QAVVTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSNRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTVVFGGGTKVTVLQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: NULL

>7WPH_B|Chain A, B|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
SAARVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCS

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: ASN32 TRP34 GLU51 HIS53 SER55 GLY57 THR58 ASN59 ALA101 GLY102 GLY103 THR104 TYR105 SER106

L: GLY31 TYR32 ASN33 TYR34 ASP52 ASN55 TYR93 SER96 SER97 VAL99

B: ASN343 THR345 ARG346 ASN440 LEU441 ASP442 SER443 LYS444 VAL445 GLY446 GLY447 ASN448 TYR449 ASN450 LEU452 PRO499 ARG509

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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