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Entry information

Complex
AACDB_ID: 2068
PDBID: 6BF4
Chains: BC_A
Organism: Human immunodeficiency virus 1, Homo sapiens
Method: XRD
Resolution (Å): 2.38
Reference: 10.1016/j.immuni.2018.02.013
Antibody
Antibody: VRC-PG05 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: HIV-1 clade AE Strain CNE55 gp120
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>6BF4_B|Chain B, E[auth H]|VRC-PG05 Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFPFNRDWMTWVRQAPGKGLEWVANINMDGDKKDYVDSVKGRFTISRDNAKTSLYLQMNSLRAGDTAVYYCARIRQVSKYLQWYPGVFEMWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: C
Mutation: NULL

>6BF4_C|Chain C, F[auth L]|VRC-PG05 Fab light chain|Homo sapiens (9606)
DIVMTQSPDSLAVSLGERATIHCKSSQSVLYRPNNRNYVAWYQQKPGQPPRLLIHWASFRESGVPDRFTGSGSGTDFTLTISSLQAEDVAVYYCQQYFFLYSFGGGTKLEINRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>6BF4_A|Chain A, D[auth G]|HIV-1 clade AE gp120 core|Human immunodeficiency virus 1 (11676)
VWRDADTTLFCASDAKAHETEVHNVWATHACVPTDPNPQEIHLVNVTENFNMWKNKMVEQMQEDVISLWDESLKPCVKLTGGSVIKQACPKVSFDPIPIHYCTPAGYVILKCNDKNFNGTGPCKNVSSVQCTHGIKPVVSTQLLLNGSLAEEEIIIRSENLTDNAKNIIVHLNKSVEINCTRPSNGGSGSGGDIRKAYCEIDGTEWNKTLTQVAEKLKEHFNKTIVYQPPSGGDLEITMHHFNCRGEFFYCNTTQLFNNSVGNSTIKLPCRIKQIINMWQGVGQAMYAPPISGAINCLSNITGILLTRDGGGNNRSNETFRPGGGNIKDNWRSELYKYKVVEIE

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: SER99

C: PRO27 ASN28 ASN29 ARG30

A: ASN262 LYS290 SER291 VAL292 GLU293 ASP334 THR336 GLU337 THR399 LEU446 SER447 ASN448

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)

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