Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 5106 |
| PDBID: | 7U5B |
| Chains: | AB_J |
| Organism: | synthetic construct, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.37 |
| Reference: | 10.1126/scitranslmed.abp9159 |
| Antibody | |
| Antibody: | anti-KLK5 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Human kallikrein-related peptidase 5 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: A
Mutation: NULL
| >7U5B_A|Chain A, C[auth H]|anti-KLK5 Fab Heavy Chain|synthetic construct (32630) EVQLVESGGGLVQPGGSLRLSCAASGFSLSSYGVTWVRQAPGKGLEWIGYITSNYGVSYYASWAKSRSTISRDTSKNTVYLQMGSLRAEDMAVYYCARENPDYGYAYDAWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCD |
Light Chain: B
Mutation: NULL
| >7U5B_B|Chain B, E[auth L]|anti-KLK5 Fab Light Chain|synthetic construct (32630) AIRMTQSPSSFSASTGDRVTITCQASESISNELSWYQQKPGKAPKLLIYYASTLASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCAQGFGSSGVENVFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: J
Mutation: NULL
| >7U5B_J|Chain D[auth I], F[auth J]|Kallikrein-5|Homo sapiens (9606) IINGSDCDMHTQPWQAALLLRPNQLYCGAVLVHPQWLLTAAHCRKKVFRVRLGHYSLSPVYESGQQMFQGVKSIPHPGYSHPGHSNDLMLIKLNRRIRPTKDVRPINVSSHCPSAGTKCLVSGWGTTKSPQVHFPKVLQCLNISVLSQKRCEDAYPRQIDDTMFCAGDKAGRDSCQGDSGGPVVCNGSLQGLVSWGDYPCARPNRPGVYTNLCKFTKWIQETIQANS |
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)
| A: SER50 GLY52 TYR69 THR71 SER72 ASN73 TYR74 VAL76 SER77 TYR78 LYS84 GLU118 PRO120 GLY123 TYR124 TYR126 B: ALA25 ILE26 GLU51 SER52 SER54 GLU56 TYR74 GLY115 PHE116 GLY117 SER118 SER119 J: PRO130 SER131 ALA132 VAL162 LEU163 SER164 GLN165 LYS166 ARG167 GLU169 ASP170 ALA171 TYR172 PRO173 GLN174 ILE176 ASP177 ASP178 ARG224 LYS233 |
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)
