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Entry information

Complex
AACDB_ID: 5901
PDBID: 8CWK
Chains: HL_C
Organism: Homo sapiens, Severe acute respiratory syndrome coronavirus 2
Method: XRD
Resolution (Å): 2.37
Reference: Not available or To be published
Antibody
Antibody: 4G1-C2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: SARS-CoV-2 spike glycoprotein RBD
Antigen mutation: No
Durg Target: P0DTC2; P0DTC2;

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>8CWK_H|Chain A[auth H]|Heavy chain of Fab arm of antibody 10G4|Homo sapiens (9606)
QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVIWYDGSDKYYADSVKGRFTISRDNSKNTLYLQINSLRAEDTAMYYCAREATAGFDYWGQGNLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGSHHHHHH

Light Chain: L
Mutation: NULL

>8CWK_L|Chain B[auth L]|Light chain of Fab arm of antibody 10G4|Homo sapiens (9606)
NIQMTQSPSAMSASVGDRVTITCRARQDISSYLAWFQQKPGKVPKHLIYAASTLLSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCLQHNSYPYTFGQGTKLEINRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: C
Mutation: NULL

>8CWK_C|Chain E[auth C]|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKGSHHHHHH

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: SER31 TYR32 GLY33 VAL50 TRP52 TYR53 GLU99 ALA100 THR101 GLY103 PHE104

L: TYR32 HIS46 TYR49 ALA50 HIS91 TYR94 TYR96

C: LEU455 PHE456 GLN474 ALA475 GLY476 SER477 THR478 PRO479 CYS480 ASN481 VAL483 GLU484 GLY485 PHE486 ASN487 CYS488 TYR489

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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