Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6554 |
| PDBID: | 7SHZ |
| Chains: | IJ_G |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.00 |
| Reference: | 10.1038/s41467-021-27397-z |
| Antibody | |
| Antibody: | Omalizumab variant HAE Fv |
| Antibody mutation: | Yes |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | IgE Fc |
| Antigen mutation: | No |
| Durg Target: | P01854 |
Sequence information
Antibody
Heavy Chain: I
Mutation: T49K/D51S/S53E/N60K
| >7SHZ_I|Chain B[auth C], C[auth E], D[auth I], K|HAE Variable fragment Heavy chain|Homo sapiens (9606) SEVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASIKYSGETKYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSG |
Light Chain: J
Mutation: Q29K/S30P/Y33G/D34E/M39L
| >7SHZ_J|Chain E[auth D], F, G[auth J], L|HAE Variable fragment Light chain|Homo sapiens (9606) GGSDIQLTQSPSSLSASVGDRVTITCRASKPVDGEGDSYLNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKGGSENLYFQGGSGHHHHHHHH |
Antigen
Chain: G
Mutation: NULL
| >7SHZ_G|Chain A, H[auth B], I[auth G], J[auth H]|IgE Fc|Homo sapiens (9606) APMAEGGGQNHHHHHHHHGGENLYFQGGSCADSNPRGVSAYLSRPSPFDLFIRKSPTITCLVVDLAPSKGTVNLTWSRASGKPVNHSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHPHLPRALMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLACLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWEQKDEFICRAVHEAASPSQTVQRAVSVNP |
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)
| I: GLU1 GLY26 TYR27 SER28 SER31 GLY32 TYR33 LYS53 TYR54 SER100 HIS101 TYR102 PHE103 TRP106 HIS107 J: ASP30 GLU32 GLY33 ASP34 SER35 TYR36 TYR53 ALA55 TYR57 SER60 GLY70 SER71 G: THR373 TRP374 SER375 ARG376 ALA377 SER378 GLY379 LYS380 PRO381 ARG408 GLU412 GLY413 GLU414 GLN417 ARG419 THR421 PRO426 ARG427 ALA428 MET430 SER432 THR434 |
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)
