Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 394 |
| PDBID: | 2XWT |
| Chains: | AB_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 1.90 |
| Reference: | 10.1530/JME-10-0127 |
| Antibody | |
| Antibody: | K1-70 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | thyrotropin receptor |
| Antigen mutation: | No |
| Durg Target: | P16473 |
Sequence information
Antibody
Heavy Chain: A
Mutation: NULL
| >2XWT_A|Chain A|THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN|HOMO SAPIENS (9606) EVQLVQSGAEVKKPGQSLKISCKASGYSLTDNWIGWVRQKPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSINTAYLQWSSLKASDTAIYYCVGLDWNYNPLRYWGPGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS |
Light Chain: B
Mutation: NULL
| >2XWT_B|Chain B|THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 LIGHT CHAIN|HOMO SAPIENS (9606) QSVLTQPPSVSAAPGQKVTISCSGSSSDIGSNYVSWYQQFPGTAPKLLIYDNNKRPSAIPDRFSGSKSGTSATLGITGLQTGDEADYYCGTWDSRLGIAVFGGGTQLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLVSDFYPGAVTVAWKADGSPVKVGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCRVTHEGSTVEKTVAPTE |
Antigen
Chain: C
Mutation: NULL
| >2XWT_C|Chain C|THYROTROPIN RECEPTOR|HOMO SAPIENS (9606) MGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTL |
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)
| A: SER28 THR30 ASP31 ASN32 TRP33 GLY53 ASP54 ASP56 ARG58 LYS73 ASP96 TRP97 ASN98 TYR99 ARG101 TYR102 B: GLY29 SER30 ASN31 TYR32 TYR49 ASP50 LYS53 ARG54 PRO55 SER56 LYS66 TRP91 SER93 ARG94 C: GLU35 ASP36 PHE37 ARG38 THR40 LYS42 GLN55 THR56 LYS58 ILE60 GLU61 SER79 ARG80 TYR82 SER84 ILE85 LYS102 THR104 HIS105 GLU107 ARG109 ASN110 LEU127 LYS129 PHE130 PHE134 ASP151 ILE152 PHE153 ILE155 GLU157 THR181 LYS183 ASP203 ALA204 TYR206 |
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)
