Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2076 |
| PDBID: | 6BGT |
| Chains: | BA_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.70 |
| Reference: | Not available or To be published |
| Antibody | |
| Antibody: | Trastuzumab Fab |
| Antibody mutation: | Yes |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Receptor tyrosine-protein kinase erbB-2 |
| Antigen mutation: | No |
| Durg Target: | P04626 |
Sequence information
Antibody
Heavy Chain: B
Mutation: K30D
| >6BGT_B|Chain C[auth B]|Herceptin heavy chain Fab fragment mutant|Homo sapiens (9606) EVQLVESGGGLVQPGGSLRLSCAASGFNIDDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGSHHHHHH |
Light Chain: A
Mutation: S52D
| >6BGT_A|Chain B[auth A]|Herceptin light chain mutant|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSADFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
| >6BGT_C|Chain A[auth C]|Receptor tyrosine-protein kinase erbB-2|Homo sapiens (9606) MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTHHHHHH |
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)
| Chain residues position delta_SASA
: residuesposition A: ASP28 ASN30 THR31 ALA32 TYR49 SER50 PHE53 TYR55 SER56 HIS91 TYR92 THR93 THR94 B: VAL2 GLY26 PHE27 ASP31 TYR33 ARG50 TYR52 TYR57 THR58 ARG59 ARG98 TRP99 GLY100 GLY101 ASP102 GLY103 PHE104 TYR105 ASP108 C: PRO557 GLU558 ASP560 GLN561 LYS569 ASP570 PRO571 PRO572 PHE573 VAL575 PRO579 TYR588 MET589 ILE591 LYS593 ASP596 GLU598 ALA600 CYS601 GLN602 PRO603 CYS604 PRO605 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
