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Entry information

Complex
AACDB_ID: 4829
PDBID: 7S5Q
Chains: BC_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 2.88
Reference: 10.1126/science.abm5835
Antibody
Antibody: CS44 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 B.1.351 variant spike glycoprotein RBD
Antigen mutation: Yes
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>7S5Q_B|Chain B|CS44 Heavy chain|Homo sapiens (9606)
QVQLVQSGPEVKKPGTSVKVSCKASGITFTSSAVQWVRQARGQRLEWIGWIVVGSGNTNYAQKFQERVTITRDMSTSTAYMELSSLRSEDTAVYYCAAPYCSGGTCHDGFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: C
Mutation: NULL

>7S5Q_C|Chain C|CS44 Light chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: K99N/E166K/N183Y

>7S5Q_A|Chain A|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
RVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGNIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVKGFNCYFPLQSYGFQPTYGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFSGHHHHHH

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)

B: THR30 SER31 SER32 ALA33 TRP50 GLY53 SER54 ASN56 ARG71 MET73 PRO95 PHE100

C: SER31 TYR32 TYR91 GLY92 TRP96

A: ASN417 TYR421 LEU455 PHE456 ARG457 LYS458 TYR473 ALA475 GLY476 SER477 THR478 PRO479 GLY485 PHE486 ASN487 CYS488 TYR489 PHE490 GLN493

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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