Complex | |
AACDB_ID: | 5150 |
PDBID: | 7UED |
Chains: | HL_M |
Organism: | Homo sapiens, Mus musculus |
Method: | XRD |
Resolution (Å): | 3.00 |
Reference: | 10.1158/2767-9764.CRC-22-0306 |
Antibody | |
Antibody: | MORAb-009 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | Amatuximab(Phase-II) |
Antigen | |
Antigen: | Human isoform 4 of mesothelin |
Antigen mutation: | No |
Durg Target: | Q13421 |
Antibody
Heavy Chain: H
Mutation: NULL
>7UED_H|Chain C[auth H]|MORAb-009 Fab heavy chain|Mus musculus (10090) QVQLQQSGPELEKPGASVKISCKASGYSFTGYTMNWVKQSHGKSLEWIGLITPYNGASSYNQKFRGKATLTVDKSSSTAYMDLLSLTSEDSAVYFCARGGYDGRGFDYWGSGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK |
Light Chain: L
Mutation: NULL
>7UED_L|Chain B[auth L]|MORAb-009 Fab light chain|Mus musculus (10090) DIELTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDTSKLASGVPGRFSGSGSGNSYSLTISSVEAEDDATYYCQQWSKHPLTFGSGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE |
Antigen
Chain: M
Mutation: NULL
>7UED_M|Chain A[auth M]|Isoform 4 of Mesothelin|Homo sapiens (9606) MEVEKTACPSGKKAREIDESLIFYKKWELEACVDAALLATQMDRVNAIPFTYEQLDVLKHKLDELYPQGYPESVIQHLGYLFLKMSPEDIRKWNVTSLETLKALLEVNKGHEMSPQVATLIDRFVKGRGQLDKDTLDTLTAFYPGYLCSLSPEELSSVPPSSIWAVRPQDLDTCDPRQLDVLYPKARLAFQNMNGSEYFVKIQSFLGGAPTEDLKALSQQNVSMDLATFMKLRTDAVLPLTVAEVQKLLGPHVEGLKAEERHRPVRDWILRQRQDDLDTLGLGLQGGIPNGYLVLDLSVQEALSGTHHHHHH |
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: LYS126 SER127 GLY128 THR129 SER182 LYS183 ALA184 GLU187 H: THR87 SER119 SER178 SER179 GLY180 M: ALA341 LEU392 GLU393 LYS396 GLU400 LYS403 LYS427 ASP428 SER455 TRP458 ALA483 GLN485 ASN486 MET487 GLU491 LYS495 |
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)