Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 955 |
| PDBID: | 4S1R |
| Chains: | HL_G |
| Organism: | Human immunodeficiency virus 1, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.21 |
| Reference: | 10.1016/j.cell.2015.03.004 |
| Antibody | |
| Antibody: | 45-VRC01.H08.F-117225 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 clade A/E 93TH057 gp120 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >4S1R_H|Chain B[auth H]|Fab of VRC01-lineage antibody,45-VRC01.H08.F-117225 heavy chain|Homo sapiens (9606) QVRLVQSGPQIKTPGASVTISCGTSGYDFMESLINWVRQDIGKGPEWMGWINPRGGGVNYGRRFQGKVTMTRDVSSGTAYLTLRGLTSDDTAKYYCVRGKSCCGGRRYCNGADCFNWDFEHWGQGTLVIVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: L
Mutation: NULL
| >4S1R_L|Chain C[auth L]|Fab of VRC01 light chain|Homo sapiens (9606) EIVLTQSPGTLSLSPGETAIISCRTSQYGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGPDYTLTISNLESGDFGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: G
Mutation: NULL
| >4S1R_G|Chain A[auth G]|clade A/E 93TH057 HIV-1 gp120 core|Human immunodeficiency virus 1 (11676) VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGANNTSNETFRPGGGNIKDNWRSELYKYKVVQIE |
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: MET30 LEU33 GLU46 TRP47 TRP50 ARG53 GLY54 GLY55 GLY56 VAL57 ASN58 TYR59 GLY60 ARG61 ARG62 GLN64 ARG71 VAL73 L: VAL3 GLN27 TYR91 GLU96 PHE97 G: LYS97 GLU102 GLN105 GLU106 ILE109 GLU275 ASN276 THR278 ASN279 ASN280 ALA281 LYS282 THR283 SER365 GLY366 GLY367 ASP368 ILE371 TRP427 GLN428 GLY429 THR430 THR455 ARG456 ASP457 GLY458 GLY459 ALA460 ASN461 ASN462 THR463 ASN465 GLU466 THR467 ARG469 GLY473 ASN474 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)
