Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 512 |
| PDBID: | 3HMX |
| Chains: | HL_A |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.00 |
| Reference: | 10.1016/j.jmb.2010.07.046 |
| Antibody | |
| Antibody: | ustekinumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Ustekinumab(Approved) |
| Antigen | |
| Antigen: | Interleukin-12 |
| Antigen mutation: | No |
| Durg Target: | P29460 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >3HMX_H|Chain D[auth H]|USTEKINUMAB FAB HEAVY CHAIN|Homo sapiens (9606) EVQLVQSGAEVKKPGESLKISCKGSGYSFTTYWLGWVRQMPGKGLDWIGIMSPVDSDIRYSPSFQGQVTMSVDKSITTAYLQWNSLKASDTAMYYCARRRPGQGYFDFWGQGTLVTVSSSSTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH |
Light Chain: L
Mutation: NULL
| >3HMX_L|Chain C[auth L]|USTEKINUMAB FAB LIGHT CHAIN|Homo sapiens (9606) DIQMTQSPSSLSASVGDRVTITCRASQGISSWLAWYQQKPEKAPKSLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNIYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >3HMX_A|Chain A|Interleukin-12 subunit beta|Homo sapiens (9606) IWELKKDVYVVELDWYPDAPGEMVVLTCDTPEEDGITWTLDQSSEVLGSGKTLTIQVKEFGDAGQYTCHKGGEVLSHSLLLLHKKEDGIWSTDILKDQKEPKNKTFLRCEAKNYSGRFTCWWLTTISTDLTFSVKSSRGSSDPQGVTCGAATLSAERVRGDNKEYEYSVECQEDSACPAAEESLPIEVMVDAVHKLKYENYTSSFFIRDIIKPDPPKNLQLKPLKNSRQVEVSWEYPDTWSTPHSYFSLTFCVQVQGKSKREKKDRVFTDKTSATVICRKNASISVRAQDRYYSSSWSEWASVPCS |
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)
| L: SER30 SER31 TRP32 TYR49 SER56 TYR91 ASN92 ILE93 TYR94 TYR96 H: VAL2 GLY26 TYR27 SER28 THR30 THR31 TYR32 TRP33 VAL54 ASP55 ASP57 ARG59 PRO62 ARG98 ARG99 ARG100 PRO101 GLY102 GLN103 PHE108 A: TRP15 PRO17 ASP18 ALA19 PRO20 GLY21 MET23 LEU40 ASP41 GLN42 SER43 GLU45 VAL46 LEU47 GLY48 LEU53 THR54 ILE55 GLN56 LYS58 GLU59 PHE60 GLY61 ASP62 TYR66 LYS84 LYS195 |
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)
