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Entry information

Complex
AACDB_ID: 2762
PDBID: 6Q23
Chains: GI_D
Organism: Influenza A virus (A/California/04/2009(H1N1)), Homo sapiens
Method: XRD
Resolution (Å): 3.27
Reference: 10.1126/science.aay0678
Antibody
Antibody: 1G01 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: H1N1 neuraminidase
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: G
Mutation: NULL

>6Q23_G|Chain E, G, I[auth H], K[auth J]|1G01 Fab IgG1 heavy chain|Homo sapiens (9606)
DEVQLVESGGRALRPGGSLRLSCAASGFKFDDYAMSWVRQVPGKGLEFVSGLNWNGDITAYTDSVKGRFTVSRDNAKNSLYLHINSPKPEDTALYYCARTSSWGDYTRGPEPKITWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCHHHHHH

Light Chain: I
Mutation: NULL

>6Q23_I|Chain F, H[auth I], J[auth K], L|1G01 Fab kappa light chain|Homo sapiens (9606)
DDIQLTQSPSFLSASVGDRITITCRASQGIDGYLAWYQQRPGKAPNLLIYAASLLQSGVPSRFSGSGYGTEFTLTISSLQPEDFATYYCQHLDSYPLFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: D
Mutation: NULL

>6Q23_D|Chain A, B, C, D|Neuraminidase|Influenza A virus (A/California/04/2009 (H1N1) (641501)
GSPSRSVKLAGNSSLCPVSGWAIYSKDNSVRIGSKGDVFVIREPFISCSPLECRTFFLTQGALLNDKHSNGTIKDRSPYRTLMSCPIGEVPSPYNSRFESVAWSASACHDGINWLTIGISGPDNGAVAVLKYNGIITDTIKSWRNNILRTQESECACVNGSCFTVMTDGPSNGQASYKIFRIEKGKIVKSVEMNAPNYHYEECSCYPDSSEITCVCRDNWHGSNRPWVSFNQNLEYQIGYICSGIFGDNPRPNDKTGSCGPVSSNGANGVKGFSFKYGNGVWIGRTKSISSRNGFEMIWDPNGWTGTDNNFSIKQDIVGINEWSGYSGSFVQHPELTGLDCIRPCFWVELIRGRPKENTIWTSGSSISFCGVNSDTVGWSWPDGAELPFTI

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)

G: TRP52 SER97 TRP98 GLY99

I: ASP30 GLY31 TYR32 ALA50 ALA51 SER52 LEU53 TYR67

D: ARG118 GLU119 ILE149 LYS150 ASP151 ARG152 TRP178 SER179 PRO197 ASP198 ASN199 ASN220 ASN221 ILE222 ARG224 GLU227 PRO245 SER246 ASN247 GLU276 GLU277 ARG292 ASN294 TRP295 ALA346 ASN347 ARG371 TYR406 PRO431 LYS432

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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