Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3278 |
| PDBID: | 6YWC |
| Chains: | DE_F |
| Organism: | Homo sapiens, synthetic construct |
| Method: | XRD |
| Resolution (Å): | 2.85 |
| Reference: | 10.1038/s41589-020-00699-x |
| Antibody | |
| Antibody: | 101F Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | De novo designed protein 4E1H_95 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: D
Mutation: NULL
| >6YWC_D|Chain A, D|Antibody 101F, Heavy Chain|Homo sapiens (9606) MGCVAETGEFTRQVTLKESGPGILQPSQTLSLTCSFSGFSLSTSGMGVSWIRQPSGKGLEWLAHIYWDDDKRYNPSLKSRLTISKDTSRNQVFLKITSVDTADTATYYCARLYGFTYGFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTETYICNVNHKPSNTKVDKKVEPKSCDGTKHHHHHH |
Light Chain: E
Mutation: NULL
| >6YWC_E|Chain B, E|Antibody 101F, light chain|Homo sapiens (9606) MGCVAETGTRDIVLTQSPASLAVSLGQRATIFCRASQSVDYNGISYMHWFQQKPGQPPKLLIYAASNPESGIPARFTGSGSGTDFTLNIHPVEEEDAATYYCQQIIEDPWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECGTKHHHHHH |
Antigen
Chain: F
Mutation: NULL
| >6YWC_F|Chain C, F|De novo design 4E1H_95|synthetic construct (32630) MKYFDCTVSGERGIIKTYGIQLPEEALKEHVREYVEKLREGSAITITCTAGDRVFKFKDKVGSWGSHHHHHH |
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 D: SER42 THR43 SER44 GLY45 TYR66 TRP67 ASP68 ASP70 ARG72 ARG111 TYR113 GLY114 PHE115 THR116 TYR117 E: TYR41 ASN42 ILE44 TYR46 ILE106 GLU107 ASP108 F: THR7 GLU11 ARG12 GLY13 ILE14 ILE15 LYS16 THR17 TYR18 TYR34 LEU38 GLU40 GLY41 THR47 THR49 LYS56 |
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)
