Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 920 |
| PDBID: | 4R4N |
| Chains: | QR_P |
| Organism: | Human immunodeficiency virus 1, synthetic construct, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.56 |
| Reference: | 10.1128/JVI.02194-14 |
| Antibody | |
| Antibody: | 2.2c Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 93UG037 gp120 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: Q
Mutation: NULL
| >4R4N_Q|Chain BA[auth C], F, FA[auth H], I[auth J], M[auth N], P[auth Q], T, X[auth W]|Antibody 2.2c heavy CHAIN|Homo sapiens (9606) QVQLQQWGAGLLKPSETLSLTCGVYGESLSGHYWSWVRQPPGKRLEWIGEIKHNGSPNYHPSLKSRVTISLDMSKNQFSLNLTSVTAADTAVYFCARRSNWPYLPFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK |
Light Chain: R
Mutation: NULL
| >4R4N_R|Chain AA[auth D], D[auth G], EA[auth K], H[auth L], L[auth O], O[auth R], S[auth U], W[auth X]|Antibody 2.2c LIGHT CHAIN|Homo sapiens (9606) DIQMTQSPSFVSASVGDRVTITCRASQGISSYLAWYQQKPGKAPKLVIYAASTLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCQHLIGLRSFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR |
Antigen
Chain: P
Mutation: NULL
| >4R4N_P|Chain A, B, CA[auth E], E[auth I], J[auth M], Q[auth P], U[auth S], Y[auth V]|HIV-1 gp120|Human immunodeficiency virus 1 (11676) IWKDANTTLFCASDAKAYDTEVHNVWATHACVPTDPSPQELKMENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVQLTGGSALTQACPKVTFEPIPIHYCAPAGYAILKCNDKEFNGTGLCKNVSTVQCTHGIRPVVSTQLLLNGSLAEGKVMIRSENITNNVKNIIVQLNESVTINCTRPNNGGSGSGGDIRQAHCNVSGSQWNKTLHQVVEQLRKYWNNNTIIFNSSSGGDLEITTHSFNCGGEFFYCNTSGLFNSTWVNGTASIENGTITLPCRIKQIINMWQRVGQAIYAPPIQGVIRCVSNITGLILTRDGGGNSNENETFRPGGGDMRDNWRSELYKYKVVKIE |
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)
| R: ASP1 ILE2 GLN27 GLY28 TYR32 HIS90 ILE92 GLY93 LEU94 ARG96 Q: GLY31 TYR33 TRP47 GLU50 LYS52 SER56 PRO57 ASN58 TYR59 PRO61 LYS64 SER65 ARG95 ASN97 TRP98 PRO99 P: PHE53 ASP57 ALA58 LYS59 ALA60 TYR61 ASP62 THR71 HIS72 ALA73 CYS74 VAL75 PRO76 THR77 ASP78 PRO79 SER80 CYS218 ALA219 PRO220 ALA221 GLN246 |
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)
