Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6489 |
| PDBID: | 8W85 |
| Chains: | AB_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.77 |
| Reference: | 10.1038/s41467-023-44083-4 |
| Antibody | |
| Antibody: | DQN0385AE01 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HLA-DQ2.5:DQ2.5-gliadin-γ2 |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: A
Mutation: NULL
| >8W85_A|Chain A, E|DQN0385AE01 Fab heavy chain|Homo sapiens (9606) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSWYWICWVRQAPGKGLEWVACIDTGSGSIDYASWVNGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDIGIDYNFWGPGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK |
Light Chain: B
Mutation: NULL
| >8W85_B|Chain B, F|DQN0385AE01 Fab light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCQATQSISSYLNWYQQKPGQPPKLLIYYASTLAYGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHYGISVVSFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: C47S
| >8W85_C|Chain C, G|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: SER30 SER31 TRP32 TYR33 TRP34 ASP53 SER56 SER58 ASP60 ASP100 GLY102 ILE103 ASP104 TYR105 B: ILE2 GLN27 SER28 ILE29 SER30 TYR32 TYR49 TYR50 TYR90 GLY91 ILE92 SER93 VAL94 C: TYR16 GLY20 PRO21 SER22 GLY23 LEU39 GLY40 LYS42 ARG55 ASP57 GLN59 PHE60 LEU62 THR63 ASN64 ILE65 ALA66 VAL67 LYS69 HIS70 ASN73 |
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)
