Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6106 |
| PDBID: | 8EB2 |
| Chains: | NO_G |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.90 |
| Reference: | 10.1016/j.omto.2022.09.010 |
| Antibody | |
| Antibody: | huPA2.1 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HLA-A∗02-NY-ESO-1(V) peptide MHC complex |
| Antigen mutation: | No |
| Durg Target: | P04439 |
Sequence information
Antibody
Heavy Chain: N
Mutation: NULL
| >8EB2_N|Chain J, L[auth K], N|PA2.1 Fab Heavy Chain|Homo sapiens (9606) QVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYHIHWVRQAPGQGLEWIGWIYPGNVNTEYNEKFKGKATITADESTNTAYMELSSLRSEDTAVYYCAREEITYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: O
Mutation: NULL
| >8EB2_O|Chain K[auth L], M, O|PA2.1 Fab Light Chain|Homo sapiens (9606) DIQMTQSPSTLSASVGDRVTITCRSSQSIVHSNGNTYLEWYQQKPGKAPKLLIYKVSNRFSGVPARFSGSGSGTEFTLTISSLQPDDFATYYCFQGSHVPRTFGQGTKVEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: G
Mutation: NULL
| >8EB2_G|Chain A, D, G|HLA-A*02:01 alpha chain|Homo sapiens (9606) GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE |
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)
| N: THR30 SER31 TYR32 HIS33 TRP50 TYR52 GLY54 ASN55 VAL56 ASN57 GLU99 GLU100 ILE101 TYR103 O: HIS31 SER32 ASN33 GLY34 ASN35 TYR37 LYS55 ARG101 G: SER105 ASP106 TRP107 ARG108 PHE109 LEU110 GLU128 ARG131 GLU161 GLY162 VAL165 GLU166 ARG169 ARG170 GLU173 LYS176 GLN180 |
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)
