Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1933 |
| PDBID: | 5WUX |
| Chains: | HL_E |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.90 |
| Reference: | 10.3390/ijms18010228 |
| Antibody | |
| Antibody: | Certolizumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Certolizumab(Approved) |
| Antigen | |
| Antigen: | Tumor necrosis factor alpha |
| Antigen mutation: | No |
| Durg Target: | P01375 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >5WUX_H|Chain A, C, E[auth H]|heavy|Homo sapiens (9606) EVQLVESGGGLVQPGGSLRLSCAASGYVFTDYGMNWVRQAPGKGLEWMGWINTYIGEPIYADSVKGRFTFSLDTSKSTAYLQMNSLRAEDTAVYYCARGYRSYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT |
Light Chain: L
Mutation: NULL
| >5WUX_L|Chain B, D, F[auth L]|light|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCKASQNVGTNVAWYQQKPGKAPKALIYSASFLYSGVPYRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: E
Mutation: NULL
| >5WUX_E|Chain G[auth E], H[auth F], I[auth G]|Tumor necrosis factor alpha|Homo sapiens (9606) VRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL |
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)
| H: TYR27 VAL28 THR30 ASP31 TYR32 GLY33 TRP50 ASN52 THR53 TYR54 ILE55 ARG98 TYR100 ARG101 TYR103 L: ARG18 THR31 TYR49 SER52 PHE53 LEU54 SER56 GLY57 TYR60 PHE62 SER63 SER65 THR74 SER76 E: GLU23 GLY24 GLN25 ARG44 ASP45 GLN47 SER71 THR72 HIS73 LEU75 THR77 THR79 ILE83 VAL85 SER86 TYR87 GLN88 THR89 LYS90 ILE97 ARG131 GLU135 ILE136 ASN137 ARG138 PRO139 ASP140 |
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)
