Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 5983 |
| PDBID: | 8DFG |
| Chains: | IM_B |
| Organism: | Homo sapiens, Plasmodium falciparum 3D7 |
| Method: | XRD |
| Resolution (Å): | 2.00 |
| Reference: | 10.1038/s41467-022-33336-3 |
| Antibody | |
| Antibody: | 42D6 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Merozoite Surface Protein 1 |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: I
Mutation: NULL
| >8DFG_I|Chain A[auth H], C[auth I]|42D6 Fab Heavy Chain|Homo sapiens (9606) MGIQVQLQESGPGLVKSSETLSLTCNVFRGSIGSYYWSWIRQPAGRGLEWIGRVYSNGRANYNPSFKSRVTISVDKSKNQFSLRLTSVTAADTAVYYCAREIYYHDSTGSLYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTGGSHHHHHH |
Light Chain: M
Mutation: NULL
| >8DFG_M|Chain B[auth L], D[auth M]|42D6 Fab Light Chain|Homo sapiens (9606) MGIEIVMTQSPATLSVSPGERATLSCRASQTVSSSLAWYQHKPGQAPRLLIYGASTRATGVPVRFSGSGSGTEFTLTINSMHSEDFAIYYCLQFNDWPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: S6A/T51A
| >8DFG_B|Chain E[auth A], F[auth B]|Merozoite surface protein 1|Plasmodium falciparum 3D7 (36329) ETGNIAQHQCVKKQCPENSGCFRHLDEREECKCLLNYKQEGDKCVENPNPACNENNGGCDADATCTEEDSGSSRKKITCECTKPDSYPLFDGIFCSGTKHHHHHH |
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: GLY27 SER28 GLY30 SER31 TYR32 TYR33 TYR52 SER53 ASN54 ARG56 LYS73 ARG97 ILE99 TYR100 HIS102 ASP103 SER104 THR105 GLY106 SER107 TYR109 B: GLN4 GLN6 ASN15 SER16 LEU31 THR63 GLU65 LYS73 THR75 CYS76 GLU77 CYS78 THR79 LYS80 PRO81 ASP82 SER83 TYR84 PRO85 LEU86 PHE87 ASP88 |
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)
