Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 430 |
| PDBID: | 3BE1 |
| Chains: | HL_A |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.90 |
| Reference: | 10.1126/science.1165480 |
| Antibody | |
| Antibody: | bH1 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Receptor tyrosine-protein kinase erbB-2(HER2) |
| Antigen mutation: | No |
| Durg Target: | P04626 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >3BE1_H|Chain B[auth H]|Fab Fragment-Heavy Chain|Homo sapiens (9606) EISEVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH |
Light Chain: L
Mutation: NULL
| >3BE1_L|Chain C[auth L]|Fab Fragment-Light Chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCRASQDIPRSISGYVAWYQQKPGKAPKLLIYWGSYLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >3BE1_A|Chain A|Receptor tyrosine-protein kinase erbB-2|Homo sapiens (9606) TQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQ |
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: TYR33 ARG50 TYR56 THR57 ARG58 TRP95 GLY97 ASP98 GLY99 TYR100 L: ARG27 GLY31 TYR32 TRP50 TYR53 HIS91 TYR92 THR93 THR94 A: PRO557 GLU558 ASP560 GLN561 LYS569 ASP570 PRO571 PRO572 PHE573 PRO579 ILE591 TRP592 LYS593 GLU598 ALA600 CYS601 GLN602 PRO603 CYS604 PRO605 |
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)
