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Entry information

Complex
AACDB_ID: 7297
PDBID: 7NX3
Chains: BC_F
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 2.81
Reference: 10.1038/s41586-021-03959-5
Antibody
Antibody: 324 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Anaplastic lymphoma kinase (ALK)
Antigen mutation: No
Durg Target: Q9UM73

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>7NX3_B|Chain B, E|Fab324 HeavyChain|Mus musculus (10090)
QVQLQQSGAELVKPGASVKISCKASGYAFSSYWVNWVKQRPGKGLEWIGQIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARSRGYFYGSTYDSWGQGTTLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGGGTDEVD

Light Chain: C
Mutation: NULL

>7NX3_C|Chain C, D|Fab324 Light Chain|Mus musculus (10090)
DIVLTQSPASLAVSLGQRATISCRASESVDNYGISFMNWFQQKPGQPPKLLIYAASNQGSGVPARFSGSGSGTDFSLNIHPMEEDDTAMYFCQQSKEVPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: F
Mutation: NULL

>7NX3_F|Chain A, F|ALK tyrosine kinase receptor|Homo sapiens (9606)
TAPKSRNLFERNPNKELKPGENSPRQTPIFDPTVHWLFTTCGASGPHGPTQAQCNNAYQNSNLSVEVGSEGPLKGIQIWKVPATDTYSISGYGAAGGKGGKNTMMRSHGVSVLGIFNLEKDDMLYILVGQQGEDACPSTNQLIQKVCIGENNVIEEEIRVNRSVHEWAGGGGGGGGATYVFKMKDGVPVPLIIAAGGGGRAYGAKTDTFHPERLENNSSVLGLNGNSGAAGGGGGWNDNTSLLWAGKSLQEGATGGHSCPQAMKKWGWETRGGFGGGGGGCSSGGGGGGYIGGNAASNNDPEMDGEDGVSFISPLGILYTPALKVMEGHGEVNIKHYLNCSHCEVDECHMDPESHKVICFCDHGTVLAEDGVSCIVSPTPEPHGTDEVD

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: TYR27 ALA28 SER30 SER31 TYR32 TRP33 TYR52 GLY54 ASP55 ASP57 LYS74 GLY101 TYR102 PHE103 TYR104

C: TYR32 ILE34 TYR53 ALA54 ASN57

F: SER785 ASN787 GLN788 LEU789 ILE790 VAL793 TRP814 LEU890 HIS904 SER905 PRO907 MET910 LYS911 LYS912 TRP913 GLY914 TRP915 GLU916 ARG918

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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