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Entry information

Complex
AACDB_ID: 3505
PDBID: 7CWS
Chains: IH_O
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: EM
Resolution (Å): 3.40
Reference: 10.1038/s41422-020-00446-w
Antibody
Antibody: H014 Fv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>7CWS_I|Chain D[auth E], F[auth G], H[auth I]|Heavy Chain of H014 Fab|Homo sapiens (9606)
VQLVQSGAEVKKPGATVKISCKVSGYSFSNYYIHWVKQAPGKSLEWIGYIDPFNGGTSDNLKFKGAATLTADTSTDTAYMELSSLRSEDTAVYYCARSEYDPYYVMDYWGQGTTVTVSSAST

Light Chain: H
Mutation: NULL

>7CWS_H|Chain C[auth D], E[auth F], G[auth H]|Light Chain of H014 Fab|Homo sapiens (9606)
IVLTQSPFQSVSPKEKVTITCRASQSISSNLHWYQQKPDQSPKLLIKYASQSISGIPSRFSGSGSGTDFTLTINSLEAEDFGIYFCQQTNFWPYIFGQGTKLEILKR

Antigen

Chain: O
Mutation: NULL

>7CWS_O|Chain M[auth O], N[auth Q], O[auth R]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
QCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDS

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)

H: ILE2 SER27 ILE28 SER29 SER30 ASN31 ASN91 PHE92 TRP93 PRO94

I: TYR33 TYR50 PHE54 ASN55 GLY56 GLY57 THR58 SER59 ASP60 LEU62 LYS65 ALA67 ALA68 THR69 TYR101 ASP102 PRO103 TYR104

O: TYR365 LEU368 TYR369 ALA372 SER373 PHE374 SER375 THR376 PHE377 LYS378 TYR380 SER383 PRO384 THR385 ASP405 ARG408 PRO412 GLY413 GLN414 ASN437 VAL503 GLN506 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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