Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6488 |
| PDBID: | 8W84 |
| Chains: | AB_D |
| 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: D
Mutation: C47S
| >8W84_D|Chain D|MHC class II HLA-DQ-beta-1 - alpha2 gliadin peptide chimeric protein|Homo sapiens (9606) LPYPQPELPYPQPGSGGGGSIEGRGSGGGSRDSPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEFRAVTLLGLPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQSPITVEWRALEVLFQ |
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: PHE27 THR28 PHE29 SER30 SER31 SER32 TYR33 TYR53 GLY55 ASN75 ARG99 TYR104 TYR105 TYR106 TYR107 GLY108 GLU109 LEU110 B: TYR30 SER31 TYR50 D: LEU-2 TYR0 GLN2 PRO3 GLU4 LEU5 PRO6 TYR7 PRO8 TYR1060 GLN1064 ASP1066 ILE1067 ARG1070 LYS1071 ALA1074 ARG1077 VAL1078 |
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)
