Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3248 |
| PDBID: | 6XY2 |
| Chains: | HL_A |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.05 |
| Reference: | 10.1038/s41421-020-00202-9 |
| Antibody | |
| Antibody: | HL32 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Gotistobart(Phase-III) |
| Antigen | |
| Antigen: | Cytotoxic T-lymphocyte protein 4 (CTLA-4) |
| Antigen mutation: | No |
| Durg Target: | P16410 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >6XY2_H|Chain B[auth H]|Heavy chain|Homo sapiens (9606) QVQLQESGPGLVKPSETLSLTCTVSGFSLTSYGLSWIRQPPGKGLEWIGYIWYDGNTNFHSPLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCAKTEGHYYGSNYGYYALDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTMDPGGSHHHHHHHH |
Light Chain: L
Mutation: NULL
| >6XY2_L|Chain C[auth L]|Light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCRASENIYSNLAWYQQKQGKAPKLLLYAATNLQDGVPSRFSGSGSGTDYTLTISSLQPEDFATYFCQHLWGTPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >6XY2_A|Chain A|Cytotoxic T-lymphocyte protein 4|Homo sapiens (9606) MHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDS |
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)
| H: TYR50 TRP52 TYR53 ASP54 ASN56 ASN58 HIS60 TYR102 SER105 ASN106 TYR107 GLY108 TYR109 TYR110 L: TYR30 SER31 ASN32 LEU91 TRP92 GLY93 THR94 TYR96 A: MET3 HIS4 ALA26 SER27 PRO28 LYS30 TYR100 PRO101 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)
