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Entry information

Complex
AACDB_ID: 2525
PDBID: 6N81
Chains: CD_B
Organism: Norovirus Hu/GII.4/Farmington Hills/2004/USA, Homo sapiens
Method: XRD
Resolution (Å): 2.58
Reference: 10.1016/j.immuni.2019.05.007
Antibody
Antibody: A1227 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Norovirus major capsid protein
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>6N81_C|Chain D[auth C], E[auth H]|A1227 Fab heavy chain|Homo sapiens (9606)
QVQLVQSGGGMVQPGGSLSLSCAASGFTLSNYAMTWVRQAPGKGLEWVSSIGGSGGTTYYADSVKGRFTISRDSSMNTLYLQMSNLRAGDTAVYYCAKDKTRTLRLGYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGLEVLFQ

Light Chain: D
Mutation: NULL

>6N81_D|Chain C[auth D], F[auth L]|A1227 Fab light chain|Homo sapiens (9606)
DIRLTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPDLLIYGASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFGNYYCQQSFSTPRTFGQGTKVELKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: NULL

>6N81_B|Chain A, B|Major capsid protein|Norovirus Hu/GII.4/Farmington Hills/2004/USA (1182143)
GPSKPFTVPILTVEEMTNSRFPIPLEKLFTGPSGAFVVQPQNGRCTTDGVLLGTTQLSPVNICTFRGDVTHIAGTHNYTMNLASQNWNNYDPTEEIPAPLGTPDFVGRIQGMLTQTTRGDGSTRGHKATVSTGDVHFTPKLGSIQFNTDTNNDFETGQNTKFTPVGVVQDGNGAHQNEPQQWVLPSYSGRTGHNVHLAPAVAPTFPGEQLLFFRSTMPGCSGYPNMNLDCLLPQEWVQHFYQEAAPAQSDVALLRFVNPDTGRVLFECKLHKSGYVTVAHTGQHDLVIPPNGYFRFDSWVNQFYTLAPM

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: SER28 SER30 SER31 TYR32 GLY50 SER67 PHE92

C: VAL2 GLY26 ASN31 TYR32 SER53 THR97 ARG98 THR99

B: LYS225 ASP269 GLY270 VAL271 LEU272 GLU315 GLU316 ILE317 TYR462 GLN463 GLU464 ALA465 PRO467 ALA468 GLN469 SER470 ASP471 LYS493 GLN523

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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