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Entry information

Complex
AACDB_ID: 3421
PDBID: 7BU6
Chains: B_A
Organism: Tequatrovirus T4, Homo sapiens, Camelidae mixed library
Method: XRD
Resolution (Å): 2.70
Reference: 10.1038/s41422-020-00424-2
Antibody
Antibody: 6B9 Nanobody
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Beta-1 adrenergic receptor chimera
Antigen mutation: Yes
Durg Target: P08588; P00720;

Sequence information

Antibody

Chain: B
Mutation: NULL

>7BU6_B|Chain B|camelid antibody fragment|Camelidae mixed library (1579311)
QVQLQESGGGLVQAGGSLRLSCAASGSIFALNIMGWYRQAPGKQRELVAAIHSGGTTNYANSVKGRFTISRDNAANTVYLQMNSLKPEDTAVYYCNVKDFGAIIYDYDYWGQGTQVTVSSLEHHHHHH

Antigen

Chain: A
Mutation: C61T/C104A

>7BU6_A|Chain A|Endolysin,Endolysin,Endolysin,Beta-1 adrenergic receptor chimera|Enterobacteria phage T4 (10665)
DYKDDDDANIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYAASQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQGLLCCARRAAR

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)

B: SER27 ILE28 PHE29 ALA30 LEU31 ILE33 ALA50 HIS52 SER53 GLY54 THR56 THR57 ASN58 ALA74 ASP99 PHE100 GLY101 ALA102 ILE103 ILE104 TYR105 ASP106 TYR107 TYR109

A: THR1093 ILE1097 ILE1152 ARG1156 ALA1159 ILE1160 THR1161 SER1162 PRO1163 PHE1164 ARG1165 TYR1244 VAL1247 GLU1250 ALA1251 GLN1254 VAL1255 LEU1317 ARG1318 GLU1319 LYS1321 ALA1322 THR1325 LEU1326 ILE1329 ILE1376 TYR1377 ARG1379 SER1380 PRO1381

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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