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Entry information

Complex
AACDB_ID: 1229
PDBID: 5CJQ
Chains: HL_B
Organism: Homo sapiens, synthetic construct
Method: XRD
Resolution (Å): 3.60
Reference: 10.1126/science.aac7263
Antibody
Antibody: CR9114 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Influenza A virus Designed influenza hemagglutinin stem #4900
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5CJQ_H|Chain B[auth H]|CR9114 heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGSSVKVSCKSSGGTSNNYAISWVRQAPGQGLDWMGGISPIFGSTAYAQKFQGRVTISADIFSNTAYMELNSLTSEDTAVYFCARHGNYYYYSGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCHHHHHH

Light Chain: L
Mutation: NULL

>5CJQ_L|Chain A[auth L]|CR9114 light chain|Homo sapiens (9606)
SALTQPPAVSGTPGQRVTISCSGSDSNIGRRSVNWYQQFPGTAPKLLIYSNDQRPSVVPDRFSGSKSGTSASLAISGLQSEDEAEYYCAAWDDSLKGAVFGGGTQLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: NULL

>5CJQ_B|Chain D[auth B]|Designed influenza hemagglutinin stem #4900, HA2|synthetic construct (32630)
GLFGAIAGFTEGGWTGMVDGWYGYHHQNEQGSGYAADQKSTQNAINGITNKVNSVIEKMNTQYTAIGCEYNKSERCMKQIEDKIEEIESKIWCYNAELLVLLENERTLDFHDSNVKNLYEKVKSQLKNNAKEIGNGCFEFYHKCNDECMESVKNGTYDYPKYSEESKLNREKIDGVKLESMGVYQISGRLVPR

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)

L: ARG31

H: THR28 ASN30 ASN31 TYR32 ILE53 PHE54 SER56 ILE73 PHE74 ASN97 TYR98 TYR99

B: VAL18 ASP19 GLY20 TRP21 TYR34 GLN38 THR41 GLN42 ILE45 ASN46 ILE48 THR49 VAL52 ASN53 ILE56

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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