Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6487 |
| PDBID: | 8W84 |
| Chains: | AB_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.10 |
| Reference: | 10.1038/s41467-023-44083-4 |
| Antibody | |
| Antibody: | DQN0344AE02 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HLA-DQ2.5:DQ2.5-gliadin-α2 |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: A
Mutation: NULL
| >8W84_A|Chain A|DQN0344AE02 Fab heavy chain|Homo sapiens (9606) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSSYWMCWVRQAPGQGLEWMGCVYGGSDTTYYASWTKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDPLNYYYYGELNLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK |
Light Chain: B
Mutation: NULL
| >8W84_B|Chain B|DQN0344AE02 Fab light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCQATENIYSGLAWYQQKPGKAPKLLIYYVSTLASGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQTYHDISEVTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: C47S
| >8W84_C|Chain C|HLA class II histocompatibility antigen, DQ alpha 1 chain|Homo sapiens (9606) EDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWSLPVLRQFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHWEPELEVLFQ |
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)
| A: SER31 TRP34 TYR53 GLY55 SER56 ASP57 THR58 TYR60 ASN75 ASN103 TYR104 TYR106 B: TYR30 HIS92 ASP93 ILE94 SER95 C: LYS42 ARG55 ASP57 GLN59 PHE60 LEU62 THR63 ASN64 ALA66 VAL67 LYS69 HIS70 |
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)
