Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4960 |
| PDBID: | 7T0R |
| Chains: | CB_D |
| Organism: | Mus musculus, Homo sapiens, synthetic construct |
| Method: | XRD |
| Resolution (Å): | 3.65 |
| Reference: | 10.1016/j.jmb.2021.167395 |
| 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: C
Mutation: NULL
| >7T0R_C|Chain B[auth C], E[auth H]|Ibalizumab Heavy Chain|Mus musculus (10090) QVQLQQSGPEVVKPGASVKMSCKASGYTFTSYVIHWVRQKPGQGLDWIGYINPYNDGTDYDEKFKGKATLTSDTSTSTAYMELSSLRSEDTAVYYCAREKDNYATGAWFAYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGDKTH |
Light Chain: B
Mutation: NULL
| >7T0R_B|Chain A[auth B], D[auth L]|Ibalizumab Light Chain|Mus musculus (10090) DIVMTQSPDSLAVSLGERVTMNCKSSQSLLYSTNQKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSVQAEDVAVYYCQQYYSYRTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: D
Mutation: NULL
| >7T0R_D|Chain C[auth A], F[auth D]|T-cell surface glycoprotein CD4|Homo sapiens (9606) KKVVLGKKGDTVELTCTASQKKSIQFHWKNSNQIKILGNQGSFLTKGPSKLNDRADSRRSLWDQGNFPLIIKNLKIEDSDTYICEVEDQKEEVQLLVFGLTANSDTHLLQGQSLTLTLESPPGSSPSVQCRSPRGKNIQGGKTLSVSQLELQDSGTWTCTVLQNQKKVEFKIDIVVLAFQKASSIVYKKEGEQVEFSFPLAFTVEKLTGSGELWWQAERASSSKSWITFDLKNKEVSVKRVTQDPKLQMGKKLPLHLTLPQALPQYAGSGNLTLALEAKTGKLHQEVNLVVMRATQLQKNLTCEVWGPTSPKLMLSLKLENKEAKVSKREKAVWVLNPEAGMWQCLLSDSGQVLLESNIKVLPTGSHHHHHHH |
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 B: TYR31 SER32 THR33 ASN34 GLN35 LYS36 TYR38 TYR97 TYR98 TYR100 ARG101 C: THR28 THR30 SER31 TYR32 VAL33 TYR50 ASN52 TYR54 ASN55 GLY57 THR58 ASP59 GLU99 ASN102 TYR103 ALA104 THR105 ALA107 D: VAL3 LEU5 ASN30 SER31 ASN32 ILE34 ILE76 GLU77 SER79 ASP80 TYR82 GLN94 LEU96 PRO121 PRO122 GLY123 SER124 SER125 PRO126 SER127 GLY140 GLY141 LYS142 THR143 LEU162 GLN163 ASN164 GLN165 LYS166 |
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)
