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Entry information

Complex
AACDB_ID: 5639
PDBID: 7XSW
Chains: HL_R
Organism: Homo sapiens, Pangolin coronavirus
Method: XRD
Resolution (Å): 3.30
Reference: 10.1016/j.celrep.2022.111831
Antibody
Antibody: S309 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein GX/P2V/2017 RBD
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7XSW_H|Chain A, D[auth H]|S309 Heavy Chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCP

Light Chain: L
Mutation: NULL

>7XSW_L|Chain B, E[auth L]|S309 Lambda Chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: R
Mutation: NULL

>7XSW_R|Chain C, F[auth R]|Spike protein S1|Pangolin coronavirus (2708335)
RVQPTISIVRFPNITNLCPFGEVFNASKFASVYAWNRKRISNCVADYSVLYNSTSFSTFKCYGVSPTKLNDLCFTNVYADSFVVKGDEVRQIAPGQTGVIADYNYKLPDDFTGCVIAWNSVKQDALTGGNYGYLYRLFRKSKLKPFERDISTEIYQAGSTPCNGQVGLNCYYPLERYGFHPTTGVNYQPFRVVVLSFELLNGPATVCGPHHHHHH

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: PRO28 THR30 SER31 TYR32 TYR54 TYR100 GLY103 ALA104 TRP105 PHE106 GLU108 SER109 LEU110 ILE111

L: SER30 SER31 THR32 GLY51 SER53 SER68 GLY69

R: THR333 ASN334 LEU335 PRO337 GLY339 GLU340 VAL341 ASN343 ALA344 SER345 LYS346 ASN354 LYS356 ARG357 ILE358 SER359 ASN360 CYS361 LYS440 GLN441 LEU444 THR445 ARG509

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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