Complex | |
AACDB_ID: | 5224 |
PDBID: | 7UVI |
Chains: | AB_C |
Organism: | Homo sapiens, Plasmodium falciparum |
Method: | XRD |
Resolution (Å): | 2.92 |
Reference: | 10.1016/j.immuni.2023.01.013 |
Antibody | |
Antibody: | RUPA-55 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Plasmodium falciparum gametocyte surface protein P230 domain 1 (Pfs230D1) |
Antigen mutation: | No |
Durg Target: |
Antibody
Heavy Chain: A
Mutation: NULL
>7UVI_A|Chain A, D|RUPA-55 Fab heavy chain|Homo sapiens (9606) DVQLVESGGGLVKPGGSLRLSCAASGFTFNSYTMNWVRQAPGKGLEWVSSISTNIRYIYYADSVKGRFTISRDNAKNSLFLQMDSLRAEDTAVYYCATIAGPLSLKGDFFFDSWGQGTLVTVSPASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: B
Mutation: NULL
>7UVI_B|Chain B, E|RUPA-55 Fab light chain|Homo sapiens (9606) EIVMTQSPATLSVSPGERATLSCRASQSVSSSLAWYQQKPGQAPRLLIHGASTRATGIPTRFSGSGSGTEFTLTISSLQSEDFAVYYCQQYANWPPWTFGQGTKVESKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
>7UVI_C|Chain C, F|Gametocyte surface protein P230|Plasmodium falciparum (5833) VGVDELDKIDLSYETTESGDTAVSEDSYDKYASQNTNKEYVCDFTDQLKPTESGPKVKKCEVKVNEPLIKVKIICPLKGSVEKLYDNIEYVPKKSPYVVLTKEETKLKEKLLSKLIYGLLISPTVNEKENNFKEGVIEFTLPPVVHKATVFYFICDNSKTEDDNKKGNRGIVEVYVEPYGGSLKENLYFQGWSHPQFEK |
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)
Chain residues position delta_SASA
: residuesposition A: ARG55 TYR56 ILE57 TYR58 LYS64 LEU99 B: GLU1 ILE2 GLN27 SER28 VAL29 SER30 SER32 ALA92 ASN93 TRP94 PRO95 C: SER578 ASP580 LYS581 TYR582 ALA583 SER584 GLN585 VAL592 ASP594 PHE595 THR596 ASP597 GLN598 LYS600 PRO601 THR602 GLU603 LYS607 LYS609 CYS611 GLU612 VAL632 LEU635 ASP713 ASN719 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)