Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4912 |
| PDBID: | 7SO5 |
| Chains: | HL_A |
| Organism: | Homo sapiens, Clostridioides difficile R20291 |
| Method: | XRD |
| Resolution (Å): | 1.80 |
| Reference: | 10.1016/j.crstbi.2022.03.003 |
| Antibody | |
| Antibody: | B2 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | TcdB GTD |
| Antigen mutation: | No |
| Durg Target: | P18177 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >7SO5_H|Chain A[auth H]|Fab B2 HC|Homo sapiens (9606) QVQLLQGGAGLLKPSETLSLTCAVYGGSFSEHYWSWIRQPPGKGLEWIGEINYGGNTNYNPSLESRISISVDTSKNQVFLRVRFVTAADTAVYFCSGGRRAAVHGRTFAIWGQGTMVTVSSASTKGPSVFPLAPGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP |
Light Chain: L
Mutation: NULL
| >7SO5_L|Chain B[auth L]|Fab B2 LC|Homo sapiens (9606) DIVMTQSPLSLPVTPGEPASISCRSSQSLLHTNGNNYLVWYLQKPGQAPHLLIYLGSNRASGVPGRFSGSGSGTDFTLKISRVEVEDVGVYYCMQSLQTPPTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR |
Antigen
Chain: A
Mutation: NULL
| >7SO5_A|Chain C[auth A]|Toxin B|Clostridioides difficile R20291 (645463) LVNRKQLEKMANVRFRTQEDEYVAILDALEEYHNMSENTVVEKYLKLKDINSLTDIYIDTYKKSGRNKALKKFKEYLVTEVLELKNNNLTPVEKNLHFVWIGGQINDTAINYINQWKDVNSDYNVNVFYDSNAFLINTLKKTVVESAINDTLESFRENLNDPRFDYNKFFRKRMEIIYDKQKNFINYYKAQREENPELIIDDIVKTYLSNEYSKEIDELNTYIEESLNKITQNSGNDVRNFEEFKNGESFNLYEQELVERWNLAAASDILRISALKEIGGMYLDVDMLPGIQPDLFESIEKPSSVTVDFWEMTKLEAIMKYKEYIPEYTSEHFDMLDEEVQSSFESVLASKSDKSEIFSSLGDMEASPLEVKIAFNSKGIINQGLISVKDSYCSNLIVKQIENRYKILNNSLNPAISEDNDFNTTTNTFIDSIMAEANADNGRFMMELGKYLRVGFFPDVKTTINLSGPEAYAAAYQDLLMFKEGSMNIHLIEADLRNFEISKTNISQSTEQEMASLWSFDDARAKAQFEEYKRNYFEGSL |
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: SER30 GLU31 HIS32 TYR33 ASN52 TYR53 ARG100 ARG101 ALA102 ALA103 VAL104 THR108 L: HIS31 ASN33 ASN35 TYR37 TYR54 LEU55 ASN58 ARG59 SER61 A: ARG6 ASN14 PHE17 ARG18 THR19 GLN20 GLU21 ASP22 GLU23 VAL25 ALA26 ASP29 GLU32 LEU55 ILE58 ASP61 THR62 TYR63 |
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)
