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Entry information

Complex
AACDB_ID: 4930
PDBID: 7SOE
Chains: ED_C
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: EM
Resolution (Å): 2.80
Reference: 10.1126/science.abl8506
Antibody
Antibody: S2X303 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: E
Mutation: NULL

>7SOE_E|Chain C[auth B], F[auth E], I[auth H]|S2X303 Fab heavy chain|Homo sapiens (9606)
QITLKESGPTLVKPTQTLTLTCKLSGFSVNTGGVGVGWIRQPPGKALEWLALIYWNDDKLYSPSLKSRLTVTKDTSKNQVVLTMTNMDPVDTATYYCAHVLVWFGEVLPDAFDVWGQGTMVTVSS

Light Chain: D
Mutation: NULL

>7SOE_D|Chain B[auth D], E[auth G], H[auth L]|S2X303 Fab light chain|Homo sapiens (9606)
SYELTQPPSVSVSPGQTASITCSGDKLGETYASWYQQKPGQSPILVIYQDNKRPSGIPERFSGSNSENTATLTISGTQTMDEADYYCQAWDKTIAGFGGGTKLTV

Antigen

Chain: C
Mutation: T95I/G142D/E154K/S383C/L452R/E484Q/D614G/P681R/F817P/A892P/A899P/A942P/D985C/K986P/V987P/Q1071H

>7SOE_C|Chain A, D[auth C], G[auth F]|Spike glycoprotein|Severe acute respiratory syndrome coronavirus 2 (2697049)
MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASIEKSNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLDVYYHKNNKSWMKSEFRVYSSANNCTFEYVSQPFLMDLEGKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVCPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSTPCNGVQGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQGVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICASYQTQTNSRRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSPIEDLLFNKVTLADAGFIKQYGDCLGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGPALQIPFPMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTPSALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLCPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAHEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQGSGYIPEAPRDGQAYVRKDGEWVLLSTFLGRSLEVLFQGPGSGGLNDIFEAQKIEWHEGSGHHHHHHHH

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: GLY28 GLU29 THR30

E: GLY32 GLY33 VAL102 TRP103 PHE104 GLY105 GLU106

C: ALA123 THR124 HIS146 LYS147 ASN148 LYS150 SER151 TRP152 MET153

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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