Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2900 |
| PDBID: | 6U6U |
| Chains: | HL_R |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.31 |
| Reference: | 10.1002/pro.3862 |
| Antibody | |
| Antibody: | BI00655130 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Spesolimab(Approved) |
| Antigen | |
| Antigen: | IL-36R |
| Antigen mutation: | No |
| Durg Target: | Q9HB29 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >6U6U_H|Chain A[auth H]|BI00655130 Fab heavy chain|Homo sapiens (9606) QVQLVQSGAEVKKPGASVKVSCKASGYSFTSSWIHWVKQAPGQGLEWMGEINPGNVRTNYNENFRNKVTMTVDTSISTAYMELSRLRSDDTAVYYCTVVFYGEPYFPYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKS |
Light Chain: L
Mutation: NULL
| >6U6U_L|Chain B[auth L]|BI00655130 Fab light chain|Homo sapiens (9606) QIVLTQSPGTLSLSPGERATMTCTASSSVSSSYFHWYQQKPGQAPRLWIYRTSRLASGVPDRFSGSGSGTDFTLTISRLEPEDAATYYCHQFHRSPLTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: R
Mutation: NULL
| >6U6U_R|Chain C[auth R]|Interleukin-1 receptor-like 2|Homo sapiens (9606) GCKDIFMKNEILSASQPFAFNCTFPPITSGEVSVTWYKNSSKIPVSKIIQSRIHQDETWILFLPMEWGDSGVYQCVIKGRDSCHRIHVNLTVFEKHWCDTSIGGLPNLSDEYKQILHLGKDDSLTCHLHFPKSCVLGPIKWYKDCNEIKGERFTVLETRLLVSNVSAEDRGNYACQAILTHSGKQYEVLNGITVSHH |
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 SER28 THR30 SER31 SER32 TRP33 HIS35 TRP47 GLU50 ASN52 GLY54 ASN55 ARG57 ASN59 VAL99 PHE100 TYR101 GLY102 GLU103 PRO104 L: SER28 SER30 SER32 TYR33 ARG51 PHE92 HIS93 ARG94 SER95 LEU97 R: TRP87 PHE113 GLU114 LYS115 TRP117 CYS118 ASP119 THR120 SER121 ILE122 GLY123 GLY124 LEU125 PRO126 ASN127 LEU128 TYR132 ASP164 CYS165 ASN166 ARG190 GLY191 ASN192 GLY211 ILE212 THR213 |
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)
