Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4356 |
| PDBID: | 7MXD |
| Chains: | JK_F |
| Organism: | Human immunodeficiency virus 1, Homo sapiens, Macaca mulatta |
| Method: | EM |
| Resolution (Å): | 3.40 |
| Reference: | 10.1002/advs.202200063 |
| Antibody | |
| Antibody: | 3BNC117 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 envelope glycoprotein -gp120 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: J
Mutation: NULL
| >7MXD_J|Chain B[auth C], F[auth J], H[auth S]|3BNC117 antibody heavy chain|Homo sapiens (9606) QVQLLQSGAAVTKPGASVRVSCEASGYNIRDYFIHWWRQAPGQGLQWVGWINPKTGQPNNPRQFQGRVSLTRHASWDFDTYSFYMDLKALRSDDTAVYFCARQRSDYWDFDVWGSGTQVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: K
Mutation: NULL
| >7MXD_K|Chain C[auth D], G[auth K], I[auth U]|3BNC117 antibody light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDTVTITCQANGYLNWYQQRRGKAPKLLIYDGSKLERGVPSRFSGRRWGQEYNLTINNLQPEDIATYFCQVYEFVVPGTRLDLKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: F
Mutation: NULL
| >7MXD_F|Chain A, D[auth F], E[auth G]|Envelope glycoprotein gp120|Human immunodeficiency virus 1 (11676) AENLWVTVYYGVPVWKDADTTLFCASDAKAHETEAHNIWATHACVPTDPNPQEIYMENVTENFNMWKNNMVEQMQEDIISLWDQSLKPCVKLTPLCVTLSCTNVTLTNVNYTNNFPNIGNITDEVRNCSFNVTTEIRDKKQKVYALFYKLDIVQMENKNSYRLINCNTSVCKQACPKISFDPIPIHYCTPAGYAILKCNEKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEGEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNNTRTSVTIGPGQVFYRTGDIIGDIRKAYCEINGTKWNETLKQVVGKLKEHFPNKTISFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNSTWINSTTIKEYNDTIIYLPCKIKQIINMWQGVGQCMYAPPIRGKINCVSNITGILLTRDGGDANATNDTETFRPGGGNIKDNWRSELYKYKVVQIEPLGIAPTKCKRRVVERRRRRR |
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)
| Chain residues position delta_SASA
: residuesposition J: ARG30 PHE33 GLN46 TRP47 TRP50 LYS53 THR54 GLY55 GLN56 PRO57 ASN58 ASN59 PRO60 ARG61 GLN62 GLN64 TRP71 PHE73 GLN95 ASP98 K: ASP1 ILE2 TYR32 TYR91 GLU96 PHE97 F: ASN197 THR198 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 LYS357 SER360 GLN362 SER365 GLY366 GLY367 ASP368 ILE371 GLN428 GLY429 VAL430 THR455 ARG456 ASP457 GLY458 ALA459 ASN460 ASN463 THR465 THR467 ARG469 PRO470 GLY472 GLY473 ASN474 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
