Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 5216 |
| PDBID: | 7USL |
| Chains: | HL_C |
| Organism: | Homo sapiens, Bordetella pertussis |
| Method: | EM |
| Resolution (Å): | 2.70 |
| Reference: | 10.1016/j.celrep.2022.111196 |
| Antibody | |
| Antibody: | M1F5 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Bifunctional hemolysin-adenylate cyclase |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >7USL_H|Chain D[auth H]|M1F5 fab heavy chain|Homo sapiens (9606) QVQLKQSGPELVKPGASVRMSCKGSGYSFTFHNIHWVKQRPGQGLEWIGWIYPGDGNTKYNEKFKGKTTLTVDKSSNTAYMLLSSLTSEDSAIYFCAYGNYYFDQWGQGTTLTVSSRSTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKGLEVLFQ |
Light Chain: L
Mutation: NULL
| >7USL_L|Chain E[auth L]|M1F5 fab light chain|Homo sapiens (9606) IQMMQSTSSLSASLGDRVTISCSASQGITNYLNWYQQKPDGTVKLLIYYTSSLHSGVPSRFSGSGSGTDYSLTISNLEPEDIATYYCQQYSNLPWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
| >7USL_C|Chain C|Bifunctional hemolysin-adenylate cyclase|Bordetella pertussis (520) GPGSANSDGLRKMLADLQAGWNASSVIGVQTTEISKSALELAAITGNADNLKSVDVFVDRFVQGERVAGQPVVLDVAAGGIDIASRKGERPALTFITPLAAPGEEQRRRTKTGKSEFTTFVEIVGKQDRWRIRDGAADTTIDLAKVVSQLVDANGVLKHSIKLDVIGGDGDDVVLANASRIHYDGGAGTNTVSYAALGRQDSITVSADGERFNVRKQLNNANVYREGVATQTTAYGKRTENVQYRHVELARVGQLVEVDTLEHVQHIIGGAGNDSITGNAHDNFLAGGSGDDRLDGGAGNDTLVGGEGQNTVIGGAGDDVFLQDLGVWSNQLDGGAGVDTVKYNVHQPSEERLERMGDTGIHADLQKGTVEKWPALNLFSVDHVKNIENLHGSRLNDRIAGDDQDNELWGHDGNDTIRGRGGDDILRGGLGLDTLYGEDGNDIFLQDDETVSDDIDGGAGLDTVDYSAMIHPGRIVAPHEYGFGIEADLSREWVRKASALGVDYYDNVRNVENVIGTSMKDVLIGDAQANTLMGQGGDDTVRGGDGDDLLFGGDGNDMLYGDAGNDTLYGGLGDDTLEGGAGNDWFGQTQAREHDVLRGGDGVDTVDYSQTGAHAGIAAGRIGLGILADLGAGRVDKLGEAGSSAYDTVSGIENVVGTELADRITGDAQANVLRGAGGADVLAGGEGDDVLLGGDGDDQLSGDAGRDRLYGEAGDDWFFQDAANAGNLLDGGDGRDTVDFSGPGRGLDAGAKGVFLSLGKGFASLMDEPETSNVLRNIENAVGSARDDVLIGDAGANVLNGLAGNDVLSGGAGDDVLLGDEGSDLLSGDAGNDDLFGGQGDDTYLFGVGYGHDTIYESGGGHDTIRINAGADQLWFARQGNDLEIRILGTDDALTVHDWYRDADHRVEIIHAANQAVDQAGIEKLVEAMAQYPDPGAAAAAPPAARVPDTLMQSLAVNWR |
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)
| H: SER25 GLY26 TYR27 THR30 PHE31 ASN33 TRP50 ASP54 ASN56 LYS58 ASN96 TYR97 TYR98 L: THR30 TYR32 TYR49 TYR50 SER53 SER56 TYR91 SER92 LEU94 TRP96 C: LEU1370 LEU1373 ASP1375 GLY1377 ALA1378 GLY1379 ARG1380 ASP1382 GLU1386 ALA1387 GLY1388 SER1389 TYR1392 THR1394 SER1396 ARG1409 THR1411 ALA1414 VAL1427 LEU1428 ALA1429 GLU1432 GLN1445 LEU1446 SER1447 ASP1449 PHE1465 SER1487 GLY1488 |
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)
