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Entry information

Complex
AACDB_ID: 6742
PDBID: 3WLW
Chains: CD_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.09
Reference: 10.18632/oncotarget.2713
Antibody
Antibody: H218 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Receptor tyrosine-protein kinase erbB-2 ECD
Antigen mutation: No
Durg Target: P04626

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>3WLW_C|Chain C, E[auth H]|Antibody H Chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGESLKISCKGSGYSFTSYWIGWVRQAPGQGLEWMGWISAYNGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCAREGDGAFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP

Light Chain: D
Mutation: NULL

>3WLW_D|Chain D, F[auth L]|Antibody L Chain|Homo sapiens (9606)
QSALTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTSSSTLVFGGGTKLTVLGTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>3WLW_A|Chain A, B|Receptor tyrosine-protein kinase erbB-2|Homo sapiens (9606)
TQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVA

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)

C: SER28 THR30 SER31 TYR32 TRP33 TRP50 TYR54 ASN55 ASN59 THR74 GLU99 GLY100 ASP101 GLY102

D: TYR32 TYR34 TYR93 THR94 SER95 SER97

A: ARG70 GLN71 SER111 PRO112 ARG116 GLN138 SER167 ARG168 ALA169 CYS170 HIS171 PRO172 CYS173 SER174 PRO175 MET176 CYS177 SER180 GLU185

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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