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Entry information

Complex
AACDB_ID: 2365
PDBID: 6J71
Chains: B_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.92
Reference: 10.1107/S2059798319006995
Antibody
Antibody: HuA21 scFv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Receptor tyrosine-protein kinase erbB-2
Antigen mutation: No
Durg Target: P04626

Sequence information

Antibody

Chain: B
Mutation: NULL

>6J71_B|Chain B|anti-HER2 humanized antibody HuA21|Homo sapiens (9606)
ADIVLTQSPDSLAVSLGERVTINCKSSQPLEYSNNQWNYLAWYQQKPGQSPKLLISWASTRKSGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCGQYSDYPNTFGAGTKLEIKRGGGGSGGGGSGGGGSGGGGSQVQLVQSGAEVVKPGASVKISCKASGYPFTQYFIHWVKQNPGQRLEWIGQISSSYATVDYNQKFKGKATLTVDTSASIAYMELSSLRSEDTAVYYCVRSGNYEEYAMDYWGQGTLVTVS

Antigen

Chain: A
Mutation: NULL

>6J71_A|Chain A|Receptor tyrosine-protein kinase erbB-2|Homo sapiens (9606)
STQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDD

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: TYR36 ASN38 ASN39 GLN40 TRP41 TYR43 TRP61 SER103 THR169 GLN170 PHE172 GLN189 SER191 SER193 TYR194 THR196 ASP198 LYS204 SER238 GLY239 ASN240 TYR241 GLU242 TYR244

A: PRO122 VAL129 ARG157 PRO159 TYR163 ASP165 THR166 ASP185 THR186 ASN187 ARG188 SER189 ARG190 ALA191 CYS192 HIS193 PRO194 CYS195 SER196 PRO197 SER202 GLU207 SER208 SER209

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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