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Entry information

Complex
AACDB_ID: 4309
PDBID: 7MKL
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Mus musculus
Method: EM
Resolution (Å): 3.20
Reference: 10.1016/j.immuni.2021.08.016
Antibody
Antibody: SARS2-38 Fv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein
Antigen mutation: Yes
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7MKL_H|Chain D[auth H]|SARS2-38 Fv heavy chain|Mus musculus (10090)
QVQLKESGPGLVAPSQSLSITCTVSGFSLTRYGVHWVRQPPGKGLEWLGVIWADGSTYYNSALMSRLSISKDNSKSQVFLNMNSLQTDDTAKYYCARDGRGYDDYWGQGTTLT

Light Chain: L
Mutation: NULL

>7MKL_L|Chain E[auth L]|SARS2-38 Fv light chain|Mus musculus (10090)
QIVLTQSPAIMSASPGEKVTMTCSASSTVSFIYWYQQKPGSSPRLLIYDTSNPASGVPVRFSGSGCGTSYYLTISRMEAEDAATYYCQQWNTYPLTFGAGTKLEL

Antigen

Chain: A
Mutation: F791P/A866P/A873P/A916P/K960P/V691P

>7MKL_A|Chain A, B, C|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
AYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDS

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

H: ILE51 TYR58 ARG100

L: GLN1 THR28 SER30 PHE31 TYR33 ASP49 TRP90 ASN91 THR92 TYR93 LEU95

A: THR345 ASN439 ASN440 LEU441 ASP442 SER443 LYS444 VAL445 GLY446 ASN448 TYR449 ASN450 TYR451 GLN498 PRO499 THR500

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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