Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 640 |
| PDBID: | 3R1G |
| Chains: | HL_B |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.80 |
| Reference: | 10.1126/scitranslmed.3002254 |
| Antibody | |
| Antibody: | YW412.8.31 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Beta-secretase 1 |
| Antigen mutation: | No |
| Durg Target: | P56817 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >3R1G_H|Chain B[auth H]|FAB of YW412.8.31 antibody heavy chain|Homo sapiens (9606) EVQLVESGGGLVQPGGSLRLSCAASGFTFLGYGIHWVRQAPGKGLEWVGWISPAGGSTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARGPFSPWVMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: L
Mutation: NULL
| >3R1G_L|Chain C[auth L]|FAB of YW412.8.31 antibody light chain|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQFPTYLPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: NULL
| >3R1G_B|Chain A[auth B]|Beta-secretase 1|Homo sapiens (9606) GSRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESGNS |
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 H: GLU1 VAL2 GLY26 PHE27 THR28 LEU30 GLY31 TYR32 TRP50 ALA53 GLY54 SER56 ASP58 ARG94 PRO96 PHE97 SER98 PRO99 ASP103 L: TYR49 SER50 PHE53 TYR55 SER56 TYR94 B: SER314 THR315 GLU316 LYS317 PHE318 PRO319 GLN327 LEU328 VAL329 CYS330 TRP331 GLN332 ALA333 GLY334 THR335 THR336 PRO337 ASN339 ILE340 VAL373 ALA374 THR375 GLN377 ASP378 CYS380 PHE426 |
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)
