Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6546 |
| PDBID: | 7SHT |
| Chains: | JK_D |
| 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: J
Mutation: G16D/S29N/A42T/I53V/D75G/R99K/S101N/H102N
| >7SHT_J|Chain D[auth H], E[auth J]|clone_7 Variable fragment heavy chain|Homo sapiens (9606) ASEVQLVESGGGLVQPDGSLRLSCAVSGYNITSGYSWNWIRQTPGKGLEWVASVTYDGSTNYNPSVKGRITISRDGSKNTFYLQMNSLRAEDTAVYYCAKGNNYFGHWHFAVWGQGTLVTVSS |
Light Chain: K
Mutation: Q29K/Y33S/K48R/D76H
| >7SHT_K|Chain F[auth K], G[auth L]|clone_7 Variable fragment light chain|Homo sapiens (9606) GSDIQLTQSPSSLSASVGDRVTITCRASKSVDSDGDSYMNWYQQKPGRAPKLLIYAASYLESGVPSRFSGSGSGTHFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKGGSENLYFQGGSGHHHHHHHH |
Antigen
Chain: D
Mutation: G110C
| >7SHT_D|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)
| Chain residues position delta_SASA
: residuesposition J: SER31 GLY32 TYR33 TYR54 ASN101 TYR102 PHE103 TRP106 K: ASP32 GLY33 ASP34 SER56 TYR57 D: THR373 SER375 ARG376 ALA377 SER378 GLY379 LYS380 GLU414 GLN417 ARG419 PRO426 ARG427 MET430 |
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)
