Details

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Entry information

Complex
AACDB_ID: 2032
PDBID: 6ATT
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.77
Reference: 10.1074/jbc.M117.818013
Antibody
Antibody: 39S Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Receptor tyrosine-protein kinase erbB-2
Antigen mutation: No
Durg Target: P04626

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6ATT_H|Chain B[auth H]|Antibody 39S Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGLVKPGGSLRLSCAASGFTFSSYSMSWVRQAPGKGLEWVSSISSSSSYIYYADSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARGGDAYNYYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC

Light Chain: L
Mutation: NULL

>6ATT_L|Chain C[auth L]|Antibody 39S Fab light chain|Homo sapiens (9606)
DIVMTQTPLSLSVTPGQPASISCKSSQSVFFRSNNKNILAWYLQKPGQPPQLLIYWASSRESGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCQQYFGSPFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

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

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)

H: SER56 TYR57 TYR59 TYR103 ASN104 TYR105 TYR106

L: ILE2 PHE31 ARG32 SER33 ASN34 ILE38 TYR97 PHE98 GLY99 SER100 PHE102

A: LYS178 LEU193 THR196 VAL197 CYS198 ALA199 GLY200 GLY201 CYS202 GLY207 PRO208 LEU209 PRO210 THR211 CYS213 HIS215 GLU216 PRO225

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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