Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 642 |
| PDBID: | 3RJQ |
| Chains: | B_A |
| Organism: | HIV-1 M |
| Method: | XRD |
| Resolution (Å): | 2.60 |
| Reference: | Not available or To be published |
| Antibody | |
| Antibody: | A12 VHH |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 C186 gp120 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Chain: B
Mutation: NULL
| >3RJQ_B|Chain B|Llama VHH A12|Lama glama (9844) AVQLQESGGGLVQAGGSLRLSCTASGRISSSYDMGWFRQAPGKEREFVAAISWSGGTTDYADSVKGRFAISKDNAKNAVYLQMNSLKPEDTAVYYCAAKWRPLRYSDYPSNSDYYDWGQGTQVTVSSEQKLISEEDLHHHHHH |
Antigen
Chain: A
Mutation: NULL
| >3RJQ_A|Chain A|C186 gp120|Human immunodeficiency virus type 1 (11706) DIATMYSMQLASCVTLTLVLLVNSVWKEAKTTLFCASDAKAYEKEVHNVWATHACVPTDPNPQEMVLANVTENFNMWKNDMVEQMHEDIISLWDESLKPCVKLTGGSAITQACPKVSFDPIPLHYCAPAGFAILKCNNKTFNGTGPCRNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTNNAKTIIVHLNESVNIVCTRPNNGGSGSGGNIRQAHCNINESKWNNTLQKVGEELAKHFPSKTIKFEPSSGGDLEITTHSFNCRGEFFYCNTSDLFNGTYRNGTYNHTGRSSNGTITLQCKIKQIINMWQEVGRAIYAPPIEGEITCNSNITGLLLLRDGGQSNETNDTETFRPGGGDMRDNWRSELYKYKVVEIK |
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)
| B: ALA1 VAL2 ARG27 SER29 SER30 SER31 TYR32 LYS95 TRP96 ARG97 PRO98 LEU99 TYR101 ASP102 A: GLU102 HIS105 GLU106 ILE108 ILE109 SER110 TRP112 ASP113 LEU116 VAL255 SER256 GLY367 ASP368 LEU369 GLU370 ILE371 SER375 PHE376 ASN377 PHE382 TYR384 LYS419 ILE420 LYS421 GLY472 GLY473 ASP474 MET475 ARG476 TRP479 |
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)
