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Entry information

Complex
AACDB_ID: 5107
PDBID: 7U8E
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.29
Reference: 10.1016/j.str.2023.11.015
Antibody
Antibody: Ab246 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7U8E_H|Chain B[auth H]|Antibody Ab246 Fab heavy chain|Homo sapiens (9606)
QVQLQESGPGLVKPSETLSLTCSVSGDSIGTYYWSWIRQSPEKGLEWIGYIHHSGKTNYNPSLKSRVTMSVDTSKNQFSLKLTSVTAADTAVYYCARSPIGYCSSTKCYIDKPFDSWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVAA

Light Chain: L
Mutation: NULL

>7U8E_L|Chain C[auth L]|Antibody Ab246 Fab light chain|Homo sapiens (9606)
QAVLTQPSSLSASPGASASLTCTLRGGINVVNQRLYWYQQKPGSPPRFLLKYKSDSDNFLGSGVPSRFSGSKDASANAGILLISEVQSEDEADYYCMMWHSSAYVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7U8E_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
NITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPGSHHHHHH

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: GLY26 SER28 ILE29 GLY30 THR31 TYR32 ASN76 ARG94 PRO96 ILE97 GLY98 TYR99 ASP101

L: LEU54 SER56 SER60

A: LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 ARG408 PRO412 GLY413 GLN414 THR415 LYS424 PRO426 ASP427 ASP428 PHE429 THR430 PRO463 PHE464 LEU517 LEU518 HIS519

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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