Complex | |
AACDB_ID: | 4594 |
PDBID: | 7PHU |
Chains: | DE_A |
Organism: | Plasmodium falciparum 3D7, Homo sapiens |
Method: | XRD |
Resolution (Å): | 2.53 |
Reference: | 10.1038/s41467-022-28601-4 |
Antibody | |
Antibody: | R5.016 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | Reticulocyte-binding protein homolog 5 |
Antigen mutation: | No |
Durg Target: |
Antibody
Heavy Chain: D
Mutation: NULL
>7PHU_D|Chain D|Monoclonal antibody R5.016 heavy chain|Homo sapiens (9606) TGVHSQVQLVQSGAEVKKPGASVRVSCKASGYTFTSYGISWVRQAPGQGLEWMGWISGYDGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARDGPQVGDFDWQVYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK |
Light Chain: E
Mutation: NULL
>7PHU_E|Chain E|Monoclonal antibody R5.016 light chain|Homo sapiens (9606) TGVHCAIRMTQSPSTLSASVGDRVTITCRASQSINTWLAWYQQKPGKAPNLLISKASSLESGVPSRFSGSGSGTEFTLTISSLQPDDFATYFCQQYNSYLYTFGQGTKVEIRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
>7PHU_A|Chain A|Reticulocyte-binding protein homolog 5|Plasmodium falciparum (isolate 3D7) (36329) ENAIKKTKNQENQLTLLPIKSTEEEKDDIKNGKDIKKEIDNDKENIKTNNAKDHSTYIKSYLNTNVNDGLKYLFIPSHNSFIKKYSVFNQINDGMLLNEKNDVKNNEDYKNVDYKNVNFLQYHFKELSNYNIANSIDILQEKEGHLDFVIIPHYTFLDYYKHLSYNSIYHKSSTYGKYIAVDAFIKKINEAYDKVKSKCNDIKNDLIATIKKLEHPYDINNKNDDSYRYDISEEIDDKSEETDDETEEVEDSIQDTDSNHTPSNKKKNDLMNRTFKKMMDEYNTKKKKLIKCIKNHENDFNKICMDMKNYGTNLFEQLSCYNNNFCNTNGIRYHYDEYIHKLILSVKSKNLNKDLSDMTNILQQSELLLTNLNKKMGSYIYIDTIKFIHKEMKHIFNRIEYHTKIINDKTKIIQDKIKLNIWRTFQKDELLKRILDMSNEYSLFITSDHLRQMLYNTFYSKEKHLNNIFHHLIYVLQMKFNDVPIKMEYFQTYKKNKPLTQ |
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)
D: VAL7 GLY31 TYR32 THR33 THR35 SER36 TYR37 TYR59 ARG103 PRO106 GLN107 ASP110 PHE111 TRP113 VAL115 TYR116 TYR117 TYR118 TYR119 ASP122 E: SER58 LEU59 GLU60 SER61 GLY62 A: ILE193 THR199 GLY201 LYS202 TYR203 ILE204 ALA205 VAL206 ASP207 ALA208 PHE209 LYS211 LYS212 ILE213 GLU215 ALA216 LYS219 VAL220 LYS223 LYS327 ILE328 ASP331 TYR335 ASN338 LEU339 GLN342 |
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)