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Entry information

Complex
AACDB_ID: 3440
PDBID: 7CAH
Chains: ED_A
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: EM
Resolution (Å): 3.90
Reference: 10.1126/science.abc5881
Antibody
Antibody: H014 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 Spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2

Sequence information

Antibody

Heavy Chain: E
Mutation: NULL

>7CAH_E|Chain B[auth E]|Heavy chain of H014 Fab|Homo sapiens (9606)
VQLVQSGAEVKKPGATVKISCKVSGYSFSNYYIHWVKQAPGKSLEWIGYIDPFNGGTSDNLKFKGAATLTADTSTDTAYMELSSLRSEDTAVYYCARSEYDPYYVMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: D
Mutation: NULL

>7CAH_D|Chain A[auth D]|Light chain of H014 Fab|Homo sapiens (9606)
IVLTQSPFQSVSPKEKVTITCRASQSISSNLHWYQQKPDQSPKLLIKYASQSISGIPSRFSGSGSGTDFTLTINSLEAEDFGIYFCQQTNFWPYIFGQGTKLEIL

Antigen

Chain: A
Mutation: NULL

>7CAH_A|Chain C[auth A]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
NLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP

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: SER30 ASN31 TYR49 ASN91 PHE92 TRP93 PRO94 TYR95

E: ASN31 TYR33 TYR50 PHE54 ASN55 GLY56 GLY57 THR58 SER59 ASP60 LEU62 LYS65 GLU100 TYR101 ASP102 PRO103 TYR104 TYR105

A: TYR369 ALA372 SER373 PHE374 SER375 THR376 PHE377 LYS378 CYS379 TYR380 GLY381 VAL382 SER383 PRO384 THR385 GLY404 ASP405 VAL407 ARG408 ALA411 PRO412 GLY413 GLN414 ASN437 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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