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Entry information

Complex
AACDB_ID: 3756
PDBID: 7FBK
Chains: C_A
Organism: Severe acute respiratory syndrome coronavirus 2, Chiloscyllium plagiosum
Method: XRD
Resolution (Å): 1.90
Reference: 10.1002/smtd.202200387
Antibody
Antibody: 20G6 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: Yes
Durg Target: P0DTC2

Sequence information

Antibody

Chain: C
Mutation: NULL

>7FBK_C|Chain C, D|New antigen receptor variable domain|Chiloscyllium plagiosum (36176)
MAMAERVEQTPTTTTKEAGESLTINCVLRDSPCSLDSTFWYFTKKGATKKENLSNGGRYAETVNKASKSFSLQISDLRVEDSGTYHCRAYSTTGDERDCRWQGYIEGYGTIVTVKSSGSSGLEHHHHHH

Antigen

Chain: A
Mutation: N176Y

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

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)

C: ALA0 GLU1 ARG2 TYR37 THR44 LYS46 ASN48 ARG84 TYR86 THR88 ARG96 TRP97 GLN98 GLY99 TYR100 ILE101 GLU102 GLY103 TYR104 ILE107

A: TYR369 ASN370 SER371 ALA372 SER373 PHE374 SER375 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 GLY404 ASP405 ARG408 PRO412 GLY413 ASP427 ASN440 VAL503 GLY504 TYR508

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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