Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6997 |
| PDBID: | 4NP4 |
| Chains: | IM_A |
| Organism: | Clostridioides difficile, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.89 |
| Reference: | 10.1074/jbc.M114.560748 |
| Antibody | |
| Antibody: | Bezlotoxumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Bezlotoxumab(Approved) |
| Antigen | |
| Antigen: | Toxin B combined repetitive oligopeptide (CROP) domain |
| Antigen mutation: | No |
| Durg Target: | P18177; P18177; |
Sequence information
Antibody
Heavy Chain: I
Mutation: NULL
| >4NP4_I|Chain B[auth H], C[auth I]|bezlotoxumab heavy chain|Homo sapiens (9606) EVQLVQSGAEVKKSGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIFYPGDSSTRYSPSFQGQVTISADKSVNTAYLQWSSLKASDTAMYYCARRRNWGNAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC |
Light Chain: M
Mutation: NULL
| >4NP4_M|Chain D[auth L], E[auth M]|bezlotoxumab light chain|Homo sapiens (9606) EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSTWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >4NP4_A|Chain A|Toxin B|Clostridium difficile (1496) MGLIYINDSLYYFKPPVNNLITGFVTVGDDKYYFNPINGGAASIGETIIDDKNYYFNQSGVLQTGVFSTEDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVEWKELDGEMHYFSPETGKAFKGLNQIGDYKYYFNSDGVMQKGFVSINDNKHYFDDSGVMKVGYTEIDGKHFYFAENGEMQIGVFNTEDGFKYFAHHNEDLGNEEGEEISYSGILNFNNKIYYFDDSFTAVVGWKDLEDGSKYYFDEDTAEAYILEHHHHHH |
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)
| I: TYR27 SER28 SER31 TYR32 TRP33 ILE50 TYR52 ASP55 SER56 SER57 ARG59 ARG99 ARG100 ASN101 TRP102 GLY103 ASN104 M: SER30 SER32 TYR33 TYR50 THR57 TYR92 SER95 TRP97 A: ILE1876 GLY1877 GLU1878 TYR1887 GLN1890 SER1900 THR1901 GLU1902 ASP1903 GLY1904 PHE1905 ASP1939 ASN1941 ARG1943 GLY1944 ALA1945 VAL1946 GLU1947 PRO1960 GLU1961 THR1962 |
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)
