Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 816 |
| PDBID: | 4LSQ |
| Chains: | HL_G |
| Organism: | Human immunodeficiency virus 1, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.25 |
| Reference: | 10.1016/j.immuni.2013.04.012 |
| Antibody | |
| Antibody: | VRC-CH31 Fab |
| Antibody mutation: | Yes |
| 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
| >4LSQ_H|Chain B[auth H]|HEAVY CHAIN OF ANTIBODY VRC-CH31|Homo sapiens (9606) QVQLVQSGAAVRKPGASVTVSCKFAEDDDYSPYWVNPAPEHFIHFLRQAPGQQLEWLAWMNPTNGAVNYAWYLNGRVTATRDRSMTTAFLEVKSLRSDDTAVYYCARAQKRGRSEWAYAHWGQGTPVVVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK |
Light Chain: L
Mutation: N70D
| >4LSQ_L|Chain C[auth L]|LIGHT CHAIN OF ANTIBODY VRC-CH31 WITH N70D MUTATION|Homo sapiens (9606) DIQMTQSPSSLSASLGDRVTITCQASRGIGKDLNWYQQKAGKAPKLLVSDASTLEGGVPSRFSGSGFHQDFSLTISSLQAEDVATYFCQQYETFGQGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: G
Mutation: NULL
| >4LSQ_G|Chain A[auth G]|ENVELOPE GLYCOPROTEIN GP120 WITH LOOP D AND V5 FROM STRAIN 3415_V1_C1|Human immunodeficiency virus 1 (11676) VWKDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLENVTENFNMWKNNMVEQMQEDVISLWDQSLQPCVKLTGGSVIKQACPKISFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRTENITDNAKTIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEINGTKWNKVLKQVTEKLKEHFNNKTIIFQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNTCIGNETMKGCNGTITLPCKIKQIINMWQGTGQAMYAPPIDGKINCVSNITGILLTRDGGENNSTEIFRPGGGNIKDNWRSELYKYKVVQIE |
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: PRO31 PHE34 TRP47 TRP50 THR53 ASN54 GLY55 ALA56 VAL57 ASN58 TYR59 ALA60 TRP61 TYR62 ARG71 ARG73 L: ASP1 GLN3 ARG27 ASP32 GLN90 TYR91 GLU96 THR97 G: LYS97 ASN276 THR278 ASP279 ASN280 ALA281 LYS282 PHE353 ASN354 LYS357 SER365 GLY366 GLY367 ASP368 GLU370 ILE371 GLY429 GLN432 THR455 ARG456 ASP457 GLY458 GLY459 GLU460 ASN461 ASN463 GLU466 ILE467 GLY472 GLY473 LYS476 |
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)
