Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6701 |
| PDBID: | 3U7Y |
| Chains: | HL_G |
| Organism: | Homo sapiens, Human immunodeficiency virus 1 |
| Method: | XRD |
| Resolution (Å): | 2.45 |
| Reference: | 10.1126/science.1213782 |
| Antibody | |
| Antibody: | NIH45-46 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: H
Mutation: NULL
| >3U7Y_H|Chain A[auth H]|NIH45-46 heavy chain, Ig gamma-1 chain C region|Homo sapiens (9606) QVRLSQSGGQMKKPGESMRLSCRASGYEFLNCPINWIRLAPGRRPEWMGWLKPRGGAVNYARKFQGRVTMTRDVYSDTAFLELRSLTSDDTAVYFCTRGKYCTARDYYNWDFEHWGRGAPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCD |
Light Chain: L
Mutation: NULL
| >3U7Y_L|Chain C[auth L]|NIH45-46 light chain, Ig kappa chain C region|Homo sapiens (9606) EIVLTQSPATLSLSPGETAIISCRTSQSGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGADYNLSISNLESGDFGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: G
Mutation: V22C/S72C
| >3U7Y_G|Chain B[auth G]|Envelope glycoprotein gp160|Human immunodeficiency virus 1 (11676) VWKDADTTLFCASDAKAHETECHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQCLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIEGSHHHHHH |
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)
| H: LEU30 PRO33 TRP47 TRP50 ARG53 GLY54 GLY55 ALA56 VAL57 ASN58 TYR59 ALA60 ARG61 LYS62 GLN64 MET69 ARG71 VAL73 TYR74 TYR97 TYR99 TYR100 ASN101 TRP102 L: VAL3 GLN27 SER28 TYR89 GLU90 PHE91 G: ASP49 TRP96 LYS97 ASN98 ASN99 GLU102 LEU122 THR123 GLY124 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 THR283 SER365 GLY366 GLY367 ASP368 ILE371 TRP427 GLN428 GLY429 THR430 GLY431 GLN432 THR455 ARG456 ASP457 GLY458 GLY459 ALA460 ASN461 ASN462 THR463 ASN465 GLU466 THR467 ARG469 GLY472 GLY473 ASN474 ILE475 LYS476 ARG480 |
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)
