Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2784 |
| PDBID: | 6R8X |
| Chains: | CB_A |
| Organism: | Homo sapiens, unidentified |
| Method: | XRD |
| Resolution (Å): | 2.04 |
| Reference: | 10.1182/blood-2018-10-880849 |
| Antibody | |
| Antibody: | MAA868 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Abelacimab(Phase-III) |
| Antigen | |
| Antigen: | Coagulation factor XI |
| Antigen mutation: | Yes |
| Durg Target: | P03951 |
Sequence information
Antibody
Heavy Chain: C
Mutation: NULL
| >6R8X_C|Chain C|anti-Factor-XI Fab fragment heavy chain MAA868|unidentified (32644) QVQLLESGGGLVQPGGSLRLSCAASGFTFSTAAMSWVRQAPGKGLEWVSGISGSGSSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARELSYLYSGYYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPA |
Light Chain: B
Mutation: NULL
| >6R8X_B|Chain B|anti-Factor-XI Fab fragment light chain MAA868|unidentified (32644) QSVLTQPPSASGTPGQRVTISCSGSSSNIGSNDVSWYQQLPGTAPKLLIYKNYNRPSGVPDRFSGSKSGTSASLAISGLQSEDEADYYCSAWDQRQFDVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS |
Antigen
Chain: A
Mutation: C113S
| >6R8X_A|Chain A|Coagulation factor XI|Homo sapiens (9606) IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV |
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 B: SER27 GLY30 SER31 ASN32 ASP33 TYR50 LYS51 TYR53 ASN54 LYS67 TRP92 GLN94 ARG95 PHE97 ASP98 C: PHE27 THR28 SER30 THR31 ALA33 TRP47 SER52 TYR59 GLU99 SER101 TYR102 LEU103 TYR104 SER105 GLY106 TYR107 TYR108 A: ARG37 LEU39 CYS40 HIS57 GLU60 TYR94 LYS95 MET96 ALA97 GLU98 TYR143 ARG144 LYS145 LEU146 ARG147 ASP148 ARG171 HIS174 SER195 SER214 TRP215 GLY216 GLU217 ARG222 GLU223 ARG224 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
