Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6043 |
| PDBID: | 8DUA |
| Chains: | DE_A |
| Organism: | Simian immunodeficiency virus, Macaca mulatta |
| Method: | EM |
| Resolution (Å): | 4.32 |
| Reference: | 10.1038/s41594-022-00852-1 |
| Antibody | |
| Antibody: | ITS92.02 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Simian immunodeficiency viruses E660.CR54 SOS-2P envelope glycoprotein - gp41 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: D
Mutation: NULL
| >8DUA_D|Chain C[auth D], G[auth H], K[auth J]|ITS92.02 Heavy Chain|Macaca mulatta (9544) QVQLQESGPGLVKPSETLSLTCAVSGGSVSGNWWSWIRQPPGKGLEYIGRISGSDGTTYYRSSLKVTISRDTSKNQFSLRLNSVTAADTAVYYCARKPTWDWFDVWGPGLLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGLEVLFQ |
Light Chain: E
Mutation: NULL
| >8DUA_E|Chain D[auth E], H[auth K], L|ITS92.02 Light Chain|Macaca mulatta (9544) DIQMTQSPSSLSASVGDRVTITCRASQGIDNYLNWYQQKPGKAPKRLIFAASSLHNGVPSRFSGSGSGTKFTLTISSLQPEDLGTYYCLQYYSDPYTFGQGTKVEIKRTVAAPSVFIFPPSEDQVKSGTVSVVCLLNNFYPREASVKWKVDGALKTGNSQESVTEQDSKDNTYSLSSTLTLSSTEYQSHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >8DUA_A|Chain A, E[auth B], I[auth F]|Envelope glycoprotein gp41|Simian immunodeficiency virus (11723) GVFVLGFLGFLATAGSAMGAASLTLSAQSRTLLAGIVQQQQQLLDVPKRQQELLRLPVWGTKNLQTRVTAIEKYLKDQAQLNSWGCAFRQVCCTTVPWPNETLVPNWSNMTWQEWERQVDFLEANITQLLEEAQIQQEKNMYELQKLN |
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)
| D: GLY31 ASN32 TRP33 ARG94 THR97 TRP98 ASP99 PHE100 E: PHE49 ALA50 SER52 SER53 LEU54 ASN56 PRO59 SER60 SER63 A: THR607 VAL608 PRO609 TRP610 PRO611 ASN612 GLU613 THR614 LEU638 ASN641 ILE642 LEU645 GLU648 GLN652 |
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)
