Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1767 |
| PDBID: | 5UKR |
| Chains: | HL_G |
| Organism: | Macaca mulatta, Human immunodeficiency virus 1 |
| Method: | XRD |
| Resolution (Å): | 2.71 |
| Reference: | 10.1038/s41467-017-01336-3 |
| Antibody | |
| Antibody: | DH522.2 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 Chimeric B.YU2 gp120 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >5UKR_H|Chain A[auth H]|DH522.2 Fab fragment heavy chain|Macaca mulatta (9544) QVQLQESGPGLVKPSETLSLTCAVSGGSIGDDYYWNWIRQSPGKGLEWIGSIYGSFGGTNFNPSLKNRVTISMDTSNNQVSLKLNSVTAADTAVYYCARGSHSIVVLFGYYFDYWGQGVLVTVSSASTKGPSVFPLAPSSRSTSESTAALGCLVKDYFPEPVTVSWNSGSLTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYVCNVNHKPSNTKVDKRVEIKTCGG |
Light Chain: L
Mutation: NULL
| >5UKR_L|Chain B[auth L]|DH522.2 Fab fragment light chain|Macaca mulatta (9544) QSALTQPPSVSKSLGQSVTISCSGTTNDIGAYNGVSWYQHHSDTAPRLLIYEVNKRPSGVSDRFSGSKSGNTASLTISGLQAEDEADYYCGSYRSGSTWVFGGGTRLTVLGQPKASPTVTLFPPSSEELQANKATLVCLISDFYPGVVKVAWKADGSAVNAGVETTTPSKQSNNKYAASSYLSLTSDQWKSHKSYSCQVTHEGSTVEKTVAPAECS |
Antigen
Chain: G
Mutation: NULL
| >5UKR_G|Chain C[auth G]|Chimeric B.YU2 gp120 core derived from HIV-1 Env|Human immunodeficiency virus 1 (11676) GARSEVKLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVGAGSCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGTGPCTNVSTVQCTHGIRPVVSTQLLLNGSLAEEEIVIRSENFTNNAKTIIVQLNESVVINCTGAGHCNLSKTQWENTLEQIAIKLKEQFGNNKTIIFNPSSGGDPEIVTHSFNCGGEFFYCNSTQLFTWNDTRKLNNTGRNITLPCRIKQIINMWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGKDTNGTEIFRPGGGDMRDNWRSELYKYKVVKIE |
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)
| Chain residues position delta_SASA
: residuesposition H: ASP32 TYR34 SER53 PHE54 GLY56 THR57 ASN58 HIS97 SER98 ILE99 L: GLY28 ALA29 TYR30 ASN31 TYR49 ASN52 LYS53 TYR91 SER93 G: GLU102 HIS105 ILE108 ILE109 TRP112 ASP113 SER115 VAL191 THR193 GLY273 GLY274 ASP275 PRO276 GLU277 ILE278 VAL279 PHE289 TYR291 ARG318 LYS320 ILE322 ASN324 MET325 GLY372 ASP373 MET374 ARG375 TRP378 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
