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Entry information

Complex
AACDB_ID: 5931
PDBID: 8CYD
Chains: D_B
Organism: Severe acute respiratory syndrome coronavirus 2, Lama glama
Method: EM
Resolution (Å): 2.60
Reference: 10.1016/j.celrep.2022.111004
Antibody
Antibody: 2-45 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Chain: D
Mutation: NULL

>8CYD_D|Chain D, E, F|pan-sarbecovirus nanobody 2-45|Lama glama (9844)
QVQLVESGGGLVQAGGSLRLSCTASGYDFSILAIAWYRQAPGKERELVAAISRVGSTDYADSVKGRFTISRDNTKNTVSLQMDSLKPEDTAVYYCNAGIPMTTVLSGLGFWGQGTQVTVSS

Antigen

Chain: B
Mutation: NULL

>8CYD_B|Chain A, B, C|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
CVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDS

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)

D: GLN1 VAL2 TYR27 ASP28 SER30 ILE31 LEU32 SER52 ARG53 VAL54 SER56 GLY98 ILE99 PRO100 MET101 THR102 THR103 LEU105 LEU108 GLY109 PHE110 TRP111

B: TYR380 GLY381 VAL382 LYS386 LEU387 ASP389 LEU390 CYS391 PHE392 THR393 PRO426 ASP428 PHE429 THR430 GLY431 LYS462 PHE464 SER514 PHE515 GLU516 LEU517 LEU518 HIS519 ALA520 PRO521 ALA522

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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