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Entry information

Complex
AACDB_ID: 6055
PDBID: 8DW9
Chains: HL_A
Organism: Severe acute respiratory syndrome coronavirus 2, Homo sapiens
Method: XRD
Resolution (Å): 4.00
Reference: 10.1080/22221751.2022.2146538
Antibody
Antibody: D29 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: H
Mutation: NULL

>8DW9_H|Chain C, E[auth H]|D29 Heavy chain|Homo sapiens (9606)
QLVESGAEVKKPGSSVKVSCKASGDTFYTFDISWVRQAPGQGLEWMGGISPVFDAPNYAQKFQDRVTITADKSTSTAYMELSSLRSEDTAIYYCVKPTYSNYVWGIGAFDVWGQGTTVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKAA

Light Chain: L
Mutation: NULL

>8DW9_L|Chain D, F[auth L]|D29 Fab light chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQSVGNIYLAWYQQKPGQAPRLLIYGASTRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGDSLWTFGQGTKVEIKGQPKANPTVTLFPPSSEELQANKATLVCLIDNFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPT

Antigen

Chain: A
Mutation: NULL

>8DW9_A|Chain A, B|Spike protein S1|Severe acute respiratory syndrome coronavirus 2 (2697049)
TNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGP

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: THR31 PHE32 ASP33 PHE54 ALA56 PRO57 ASN58 TYR59 GLN61 GLN64 SER98 ASN99

L: TYR32 TYR91 GLY92 ASP93 SER94

A: GLY339 GLU340 PHE342 ASN343 ALA344 THR345 ARG346 VAL367 LEU368 ASN440 LEU441 SER443 LYS444 VAL445 ASN448 ASN450 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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