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Entry information

Complex
AACDB_ID: 6808
PDBID: 4F3F
Chains: BA_C
Organism: Mus musculus, Homo sapiens
Method: XRD
Resolution (Å): 2.65
Reference: 10.1074/jbc.M112.381756
Antibody
Antibody: MORAb-009 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Mesothelin
Antigen mutation: No
Durg Target: Q13421

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>4F3F_B|Chain B|MORAb-009 Fab heavy chain|Mus musculus (10090)
QVQLQQSGPELEKPGASVKISCKASGYSFTGYTMNWVKQSHGKSLEWIGLITPYNGASSYNQKFRGKATLTVDKSSSTAYMDLLSLTSEDSAVYFCARGGYDGRGFDYWGSGTPVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPC

Light Chain: A
Mutation: NULL

>4F3F_A|Chain A|MORAb-009 Fab light chain|Mus musculus (10090)
DIELTQSPAIMSASPGEKVTMTCSASSSVSYMHWYQQKSGTSPKRWIYDTSKLASGVPGRFSGSGSGNSYSLTISSVEAEDDATYYCQQWSKHPLTFGSGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>4F3F_C|Chain C|Mesothelin|Homo sapiens (9606)
MCPSGKKAREIDESLIFYKKWELEACVDAALLATQMDRVNAIPFTYEQLDVLKHKLDELGSLEHHHHHH

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: SER31 TYR32 ASP50 TRP91 SER92 LYS93 HIS94 LEU96

B: THR30 GLY31 TYR32 THR33 TRP47 LEU50 THR52 TYR54 ASN55 ALA57 SER58 SER59 TYR60 TYR101 ASP102 GLY103 ARG104

C: LYS11 GLU18 SER19 ILE21 PHE22 TYR23 LYS24 LYS25 TRP26 GLU27 ASN45 ALA46 ILE47 PRO48 PHE49 THR50 TYR51 GLU52 GLN53 LEU54

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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