Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2021 |
| PDBID: | 6AOD |
| Chains: | BA_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 1.80 |
| Reference: | 10.1016/j.str.2017.12.010 |
| Antibody | |
| Antibody: | FXIa Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Coagulation factor XI |
| Antigen mutation: | Yes |
| Durg Target: | P03951 |
Sequence information
Antibody
Heavy Chain: B
Mutation: NULL
| >6AOD_B|Chain B|FXIa Antibody FAB Heavy Chain|Homo sapiens (9606) EVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWIDPDEGDTNYAQKFQGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARLASGFRDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGSHHHHHH |
Light Chain: A
Mutation: NULL
| >6AOD_A|Chain A|FXIa Antibody FAB Light Chain|Homo sapiens (9606) DIVMTKSPSSLSASVGDRVTITCRASQGIRNDLGWYQQKPGKAPKRLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCLQHDIYASTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: N63Q/N104Q/C113S/S188A
| >6AOD_C|Chain C|Coagulation factor XI|Homo sapiens (9606) IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILQQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVQYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDAGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAHHHHHHHH |
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: ARG24 ALA25 SER26 GLN27 GLY28 ILE29 ARG30 ASN31 ASP32 ARG46 TYR49 ALA50 SER52 GLY66 SER67 GLY68 THR69 GLU70 HIS91 ASP92 ILE93 TYR94 B: TYR33 HIS35 TRP50 ASP52 GLU55 ASP57 THR58 ASN59 GLN62 LEU99 ALA100 SER101 C: PRO392 ARG395 HIS396 LEU397 HIS413 TYR416 TYR454 MET456 ALA457 GLU458 SER459 ASP462 TYR503 ARG504 LYS505 LEU506 ARG507 ASP508 LYS509 ILE510 HIS534 ASP551 ALA552 CYS553 LYS554 GLY555 ALA557 THR575 SER576 TRP577 GLY578 GLU579 GLY580 CYS581 GLY588 |
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)
