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Entry information

Complex
AACDB_ID: 5903
PDBID: 8CWU
Chains: B_A
Organism: Severe acute respiratory syndrome coronavirus 2, Lama glama
Method: XRD
Resolution (Å): 1.71
Reference: 10.1016/j.celrep.2022.111004
Antibody
Antibody: 1-21 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Chain: B
Mutation: NULL

>8CWU_B|Chain B|VHH 1-21|Lama glama (9844)
MASMTGGQQMGRDPNSHVQLVESGGGLVQAGGSLRLSCAAPGRTFSTSAMGWFRQAPGKEREFVAAIDWSNTNIHYADTVKGRFTISTDTAKNTVYLQMNNLKPEDTAVYYCAQGGWGLTQPISVDYWGKGTQVTVSSKLAAALEHHHHHH

Antigen

Chain: A
Mutation: NULL

>8CWU_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSGHHHHHH

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)

Chain residues position delta_SASA : residuesposition

B: ASP-3 SER0 HIS1 VAL2 THR28 PHE29 SER30 THR31 SER32 ASN56 HIS58 GLN94 GLY95 GLY96 TRP97 GLY98 LEU99 VAL100 ASP101 TYR102

A: TYR369 SER371 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 ARG408 ALA411 PRO412 GLY413 GLN414 THR415 ASP427 ASP428 PHE429 THR430

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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