Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 741 |
| PDBID: | 4G6J |
| Chains: | HL_A |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.03 |
| Reference: | 10.1016/j.jmb.2012.09.021 |
| Antibody | |
| Antibody: | canakinumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Interleukin-1 beta |
| Antigen mutation: | No |
| Durg Target: | P01584 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >4G6J_H|Chain B[auth H]|heavy chain of antibody binding fragment of canakinumab|Homo sapiens (9606) QVQLVESGGGVVQPGRSLRLSCAASGFTFSVYGMNWVRQAPAKGLEWVAIIWYDGDNQYYADSVKGRFTISRDNSKNTLYLQMNGLRAEDTAVYYCARDLRTGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVAP |
Light Chain: L
Mutation: NULL
| >4G6J_L|Chain C[auth L]|light chain of antibody binding fragment of canakinumab|Homo sapiens (9606) EIVLTQSPDFQSVTPKEKVTITCRASQSIGSSLHWYQQKPDQSPKLLIKYASQSFSGVPSRFSGSGSGTDFTLTINSLEAEDAAAYYCHQSSSLPFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG |
Antigen
Chain: A
Mutation: NULL
| >4G6J_A|Chain A|Interleukin-1 beta|Homo sapiens (9606) MAPVRSLNCTLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINNKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSSLVPR |
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: GLN1 THR28 VAL31 TYR32 GLY33 TRP52 TYR53 ASP54 ASP56 ASN57 GLN58 TYR59 ARG98 ASP99 LEU100 ARG101 THR102 L: ILE2 GLN27 SER28 ILE29 GLY30 SER31 SER32 TYR50 SER91 SER92 SER93 LEU94 PHE96 A: VAL19 MET20 SER21 GLY22 PRO23 TYR24 GLU25 LYS27 LEU29 LEU31 GLN34 ASP35 GLU37 GLN38 GLN39 VAL40 VAL41 LYS63 GLU64 LYS65 ASN66 ASP86 PRO87 LYS88 ASN129 |
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)
