Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4948 |
| PDBID: | 7SU1 |
| Chains: | HL_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.53 |
| Reference: | 10.1080/19420862.2021.2024642 |
| Antibody | |
| Antibody: | Ipilimumab Fab |
| Antibody mutation: | Yes |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Cytotoxic T-lymphocyte protein 4 |
| Antigen mutation: | No |
| Durg Target: | P16410 |
Sequence information
Antibody
Heavy Chain: H
Mutation: S31H/N56H/T99H
| >7SU1_H|Chain A[auth H]|Fab heavy chain|Homo sapiens (9606) QVQLVESGGGVVQPGRSLRLSCAASGFTFSHYTMHWVRQAPGKGLEWVTFISYDGHNKYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARHGWLGPFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCGGHHHHHH |
Light Chain: L
Mutation: S28E/S30E/Y33E
| >7SU1_L|Chain B[auth L]|Fab light chain|Homo sapiens (9606) EIVLTQSPGTLSLSPGERATLSCRASQEVGESELAWYQQKPGQAPRLLIYGAFSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
| >7SU1_C|Chain C|Cytotoxic T-lymphocyte protein 4|Homo sapiens (9606) KAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDGHHHHHH |
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: HIS31 THR33 PHE50 TYR52 HIS55 ASN56 TYR58 HIS95 TRP97 LEU98 GLY99 L: GLU27 GLY29 SER31 GLU32 PHE52 TYR91 GLY92 SER93 SER94 TRP96 C: ALA2 MET3 GLU33 ARG35 LEU39 GLN41 VAL46 THR47 GLU48 THR53 ILE93 LYS95 GLU97 MET99 PRO102 PRO103 TYR104 TYR105 LEU106 ILE108 |
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)
