Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1700 |
| PDBID: | 5TRU |
| Chains: | HL_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.00 |
| Reference: | 10.1073/pnas.1617941114 |
| Antibody | |
| Antibody: | Ipilimumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Danvilostomig(Phase-II); Ipilimumab(Approved); Sovipostobart(Phase-II); |
| Antigen | |
| Antigen: | Cytotoxic T-lymphocyte protein 4 |
| Antigen mutation: | No |
| Durg Target: | P16410 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >5TRU_l|Chain A[auth L], C[auth l]|Ipilimumab Fab light chain|Homo sapiens (9606) EIVLTQSPGTLSLSPGERATLSCRASQSVGSSYLAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Light Chain: L
Mutation: NULL
| >5TRU_h|Chain B[auth H], D[auth h]|Ipilimumab Fab heavy chain|Homo sapiens (9606) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYTMHWVRQAPGKGLEWVTFISYDGNNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARTGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH |
Antigen
Chain: C
Mutation: NULL
| >5TRU_c|Chain E[auth C], F[auth c]|Cytotoxic T-lymphocyte protein 4|Homo sapiens (9606) AMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDP |
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: SER28 GLY30 SER31 TYR33 TYR50 THR57 TYR92 GLY93 SER94 SER95 TRP97 h: SER31 TYR32 THR33 PHE50 SER52 TYR53 ASN56 ASN57 TYR59 THR99 GLY100 TRP101 LEU102 GLY103 c: ALA2 MET3 HIS4 GLU33 ARG35 THR37 LEU39 GLN41 SER44 GLN45 VAL46 GLU48 ILE93 LYS95 GLU97 MET99 TYR100 PRO102 PRO103 TYR104 TYR105 LEU106 GLY107 ILE108 |
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)
