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Entry information

Complex
AACDB_ID: 6369
PDBID: 8HEC
Chains: ED_A
Organism: Severe acute respiratory syndrome coronavirus 2, Oryctolagus cuniculus
Method: EM
Resolution (Å): 3.50
Reference: 10.1016/j.bbrc.2023.04.002
Antibody
Antibody: RmAb 9H1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein
Antigen mutation: Yes
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: E
Mutation: NULL

>8HEC_E|Chain E, G, I|rabbit antibody 9H1 heavy chain|Oryctolagus cuniculus (9986)
QSVEESGGRLVTPGTPLTLTCTVSGFSLSRYAMSWVRQAPGKGLEWIGIIVDSGHTAYASWAKGRFTISRTSTTVDLKMTSLTTEDTATYFCARETGGGAFYVFEFWGPGTVVTVSS

Light Chain: D
Mutation: NULL

>8HEC_D|Chain D, F, H|rabbit antibody 9H1 light chain|Oryctolagus cuniculus (9986)
QVLTQTPSSVSAAVGGTVTINCQASEDIYDNLVWYQQKPGQPPKLLIYDASTLAFGVSSRFRGSGSGTHFTLTMRDVQCDDAATYYCQGEFSCSSGDCTAFGGGTEVVVK

Antigen

Chain: A
Mutation: R682G/R683S/R685S/K986P/V987P

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

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: ASP27 ILE28 TYR29 ASP30 ASN31 GLU90 SER92 CYS93 SER94 SER95 CYS98

E: ILE49 VAL51 HIS55 ALA57 GLY99 ALA100 PHE101 TYR102

A: ARG403 ASP405 GLU406 ARG408 VAL445 GLY446 TYR449 GLY496 GLN498 PRO499 THR500 ASN501 GLY502 VAL503 GLY504 TYR505 GLN506

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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