Details

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Entry information

Complex
AACDB_ID: 4742
PDBID: 7RAH
Chains: DC_E
Organism: Mus musculus, Bordetella pertussis
Method: XRD
Resolution (Å): 2.60
Reference: 10.1371/journal.ppat.1009920
Antibody
Antibody: M2B10 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Bifunctional adenylate cyclase toxin/hemolysin CyaA
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>7RAH_D|Chain D|M2B10 Fab Heavy Chain|Mus musculus (10090)
EVQLQQSGAELVRPGTSVKVSCKASGYAFTNYLIEWVKQRPGQGLEWIGVINPGIGNTNYNEKFKGKATLTADKSSSTVYMQLSSLTSDDSAVYFCARGLNYGSSQHWYFDVWGAGTSVTVSSRSTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGLEVLFQ

Light Chain: C
Mutation: NULL

>7RAH_C|Chain C|M2B10 Fab Light Chain|Mus musculus (10090)
IVMTQSPAILSASLGERVTMTCTASSSVSSSYLHWYQQKPGSSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISSMEAEDAATYYCHQYHRSPPTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: E
Mutation: NULL

>7RAH_E|Chain E|Bifunctional adenylate cyclase toxin/hemolysin CyaA,Bifunctional adenylate cyclase toxin/hemolysin CyaA|Bordetella pertussis (520)
GPGSGGAGNDSITGNAHDNFLAGGSGDDRLDGGAGNDTLVGGEGQNTVIGGAGDDVFLQDLGVWSNQLDGGAGVDTVKYNVHQPSEERLERMGDTGIHADLQKGTVEKWPALNLFSVDHVKNIENLHGSRLNDRIAGDDQDNELWGHDGNDTIRGRGGDDILRGGLGLDTLYGEDGNDIFLQDDETVSDDIDGGAGLDTVDYSAMIHPGRIVAPHEYGFGIEADLSREWVRKASALGVDYYDNVRNVENVIGTSMKDVLIGDAQANTLMGQGGDDTVRGGDGDDLLFGGDGNDMLYGDAGNDTLYGGLGDDTLEGGAGNDWFGQTQAREHDVLRGGDGVDTYLFGVGYGHDTIYESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPDPGAAAAAPPAARVPDTLMQSLAVNWR

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)

C: SER27 TYR32 TYR91 HIS92 ARG93 SER94

D: THR30 ASN31 TYR32 LEU33 VAL50 ILE54 ASN56 THR57 ASN58 LEU96 ASN97 TYR98 GLY99

E: VAL1073 TRP1074 SER1075 GLU1097 GLU1100 ARG1101 GLY1103 THR1115 GLU1117 TRP1119 ALA1121 LEU1122 ASN1123 LEU1124 PHE1125 VAL1127 HIS1129

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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