Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 607 |
| PDBID: | 3O2D |
| Chains: | HL_A |
| Organism: | Mus musculus, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.19 |
| Reference: | 10.1016/j.str.2010.09.017 |
| Antibody | |
| Antibody: | ibalizumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Ibalizumab(Approved) |
| Antigen | |
| Antigen: | T cell surface glycoprotein CD4 |
| Antigen mutation: | No |
| Durg Target: | P01730 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >3O2D_H|Chain B[auth H]|ibalizumab heavy chain|Mus musculus (10090) QVQLQQSGPEVVKPGASVKMSCKASGYTFTSYVIHWVRQKPGQGLDWIGYINPYNDGTDYDEKFKGKATLTSDTSTSTAYMELSSLRSEDTAVYYCAREKDNYATGAWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYG |
Light Chain: L
Mutation: NULL
| >3O2D_L|Chain A[auth L]|ibalizumab light chain|Mus musculus (10090) DIVMTQSPDSLAVSLGERVTMNCKSSQSLLYSTNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCQQYYSYRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >3O2D_A|Chain C[auth A]|T-cell surface glycoprotein CD4|Homo sapiens (9606) KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLAFQKAHHHHHH |
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)
| L: ASP1 LYS30 TYR32 TYR91 TYR92 SER93 TYR94 ARG95 H: THR30 SER31 TYR32 VAL33 TYR50 TYR53 ASN54 ASP55 GLY56 THR57 ASP58 LYS64 GLU95 ASN98 TYR99 A: VAL3 ASN30 SER31 ASN32 LYS50 GLU77 SER79 ASP80 THR81 TYR82 GLN94 LEU96 LEU118 SER120 PRO121 PRO122 GLY123 SER124 SER125 PRO126 SER127 GLN129 GLN139 GLY140 GLY141 LYS142 THR143 LEU162 GLN163 ASN164 GLN165 LYS166 |
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)
