Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 7253 |
| PDBID: | 7N8Q |
| Chains: | CD_A |
| Organism: | Human immunodeficiency virus 1, synthetic construct, Macaca mulatta |
| Method: | XRD |
| Resolution (Å): | 2.90 |
| Reference: | 10.3389/fimmu.2021.787603 |
| Antibody | |
| Antibody: | DH677.3 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 clade A/E 93TH057 gp120 |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: C
Mutation: NULL
| >7N8Q_C|Chain C, F[auth H]|Rhesusized DH677.3 FAB HEAVY CHAIN|Macaca mulatta (9544) QVQLVQSGAEVKKPGASVKLSCKASGYTFTSYDINWVRQAPGQGLEWMGWMNPKTGNTGYAQKFQGRVTMTRDTSTSTAYMELSSLRSEDTAVYYCATYRIIAAVGYRYFQYWGQGALVTVSSASTKGPSVFPLAPSSRSTSESTAALGCLVKDYFPEPVTVSWNSGSLTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYVCNVNHKPSNTKVDKRVEIKTCGG |
Light Chain: D
Mutation: NULL
| >7N8Q_D|Chain D, G[auth L]|Rhesusized DH677.3 FAB LIGHT CHAIN|Macaca mulatta (9544) AIQMTQSPSSLSASVGDKVTITCRASQGFGNYLAWYQQKPGKVPKLLIYAATTLQSEVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQKYNSAPFTFGQGTRLEIKRAVAAPSVFIFPPSEDQVKSGTVSVVCLLNNFYPREASVKWKVDGVLKTGNSQESVTEQDSKDNTYSLSSTLTLSNTDYQSHNVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: H244S
| >7N8Q_A|Chain A, E[auth G]|clade A/E 93TH057 HIV-1 gp120 core|Human immunodeficiency virus 1 (11676) VPVWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHSFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE |
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)
| C: TYR32 ASP33 TRP50 ASN56 TYR95 ILE98 ALA99 D: ALA1 ILE2 GLN27 GLY28 PHE29 GLY30 ASN31 TYR32 ALA50 ASN92 SER93 ALA94 A: PHE53 THR71 HIS72 ALA73 CYS74 VAL75 PRO76 THR77 ASP78 PRO79 ASN80 GLN82 ILE84 THR219 PRO220 ALA221 GLY222 TYR223 VAL224 SER244 VAL245 GLN246 ILE491 GLU492 |
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)
