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Entry information

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

Sequence information

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)

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