Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6996 |
| PDBID: | 4NP4 |
| Chains: | HL_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: H
Mutation: NULL
| >4NP4_H|Chain B[auth H], C[auth I]|bezlotoxumab heavy chain|Homo sapiens (9606) EVQLVQSGAEVKKSGESLKISCKGSGYSFTSYWIGWVRQMPGKGLEWMGIFYPGDSSTRYSPSFQGQVTISADKSVNTAYLQWSSLKASDTAMYYCARRRNWGNAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC |
Light Chain: L
Mutation: NULL
| >4NP4_L|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)
| H: SER28 SER31 TYR32 TRP33 ILE50 TYR52 PRO53 GLY54 ASP55 SER56 SER57 ARG59 ARG99 ARG100 ASN101 TRP102 GLY103 ASN104 L: SER30 SER32 TYR33 TYR92 SER94 SER95 TRP97 A: VAL2007 GLY2008 TYR2009 TYR2018 GLU2021 ASN2031 THR2032 GLU2033 ASP2034 GLY2035 PHE2036 ASP2070 SER2072 THR2074 ALA2075 VAL2076 VAL2077 GLU2092 ASP2093 THR2094 |
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)
