Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6545 |
| PDBID: | 7SHT |
| Chains: | HL_B |
| Organism: | Homo sapiens |
| Method: | EM |
| Resolution (Å): | 7.29 |
| Reference: | 10.1038/s41467-021-27397-z |
| Antibody | |
| Antibody: | Omalizumab clone_7 Fv |
| Antibody mutation: | Yes |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Immunoglobulin heavy constant epsilon |
| Antigen mutation: | Yes |
| Durg Target: | P01854 |
Sequence information
Antibody
Heavy Chain: H
Mutation: G16D/S29N/A42T/I53V/D75G/R99K/S101N/H102N
| >7SHT_H|Chain D[auth H], E[auth J]|clone_7 Variable fragment heavy chain|Homo sapiens (9606) ASEVQLVESGGGLVQPDGSLRLSCAVSGYNITSGYSWNWIRQTPGKGLEWVASVTYDGSTNYNPSVKGRITISRDGSKNTFYLQMNSLRAEDTAVYYCAKGNNYFGHWHFAVWGQGTLVTVSS |
Light Chain: L
Mutation: Q29K/Y33S/K48R/D76H
| >7SHT_L|Chain F[auth K], G[auth L]|clone_7 Variable fragment light chain|Homo sapiens (9606) GSDIQLTQSPSSLSASVGDRVTITCRASKSVDSDGDSYMNWYQQKPGRAPKLLIYAASYLESGVPSRFSGSGSGTHFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKGGSENLYFQGGSGHHHHHHHH |
Antigen
Chain: B
Mutation: G110C
| >7SHT_B|Chain B, C[auth D]|Immunoglobulin heavy constant epsilon|Homo sapiens (9606) ASFTPPTVKILQSSCDGGGHFPPTIQLLCLVSGYTPGTINITWLEDGQVMDVDLSTASTTQEGELASTQSELTLSQKHWLSDRTYTCQVTYQGHTFEDSTKKCADSNPRCVSAYLSRPSPFDLFIRKSPTITCLVVDLAPSKGTVNLTWSRASGKPVNHSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHPHLPRALMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLACLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWEQKDEFICRAVHEAASPSQTVQRAVSVNPGK |
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: TYR27 SER31 GLY32 TYR33 TYR54 ASN100 ASN101 TYR102 PHE103 TRP106 HIS107 L: SER7 PRO8 SER9 SER10 ARG24 ASP32 GLY33 ASP34 TYR53 TYR57 HIS74 B: PRO230 LEU269 GLY272 GLN313 THR320 PHE321 GLU322 THR373 SER375 ARG376 ALA377 SER378 GLY379 LYS380 PRO381 GLU414 GLN417 ARG419 THR421 PRO426 ARG427 ALA428 LEU429 MET430 ARG431 SER432 |
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)
