Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 984 |
| PDBID: | 4U6V |
| Chains: | KM_B |
| Organism: | Homo sapiens, Staphylococcus aureus subsp. aureus TCH60 |
| Method: | XRD |
| Resolution (Å): | 2.56 |
| Reference: | 10.1074/jbc.M114.601328 |
| Antibody | |
| Antibody: | MEDI4893 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Suvratoxumab(Phase-III) |
| Antigen | |
| Antigen: | monomeric α-toxin (AT) |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: K
Mutation: NULL
| >4U6V_K|Chain A[auth H], D[auth K]|Fab, antigen binding fragment, heavy chain|Homo sapiens (9606) EVQLVESGGGLVQPGGSLRLSCAASGFTFSSHDMHWVRQATGKGLEWVSGIGTAGDTYYPDSVKGRFTISRENAKNSLYLQMNSLRAGDTAVYYCARDRYSPTGHYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC |
Light Chain: M
Mutation: NULL
| >4U6V_M|Chain B[auth L], E[auth M]|Fab, antigen binding fragment, light chain|Homo sapiens (9606) DIQMTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGKAPKLLIYKASSLESGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCKQYADYWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: B
Mutation: NULL
| >4U6V_B|Chain C[auth A], F[auth B]|Alpha-hemolysin|Staphylococcus aureus subsp. aureus TCH60 (548473) ADSDINIKTGTTDIGSNTTVKTGDLVTYDKENGMHKKVFYSFIDDKNHNKKLLVIRTKGTIAGQYRVYSEEGANKSGLAWPSAFKVQLQLPDNEVAQISDYYPRNSIDTKEYMSTLTYGFNGNVTGDDTGKIGGLIGANVSIGHTLKYVQPDFKTILESPTDKKVGWKVIFNNMVNQNWGPYDRDSWNPVYGNQLFMKTRNGSMKAADNFLDPNKASSLLSSGFSPDFATVITMDRKASKQQTNIDVIYERVRDDYQLHWTSTNWKGTNTKDKWIDRSSERYKIDWEKEEMTN |
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)
| K: ASP33 THR53 ALA54 ASP56 TYR58 LYS64 TYR100 PRO102 THR103 GLY104 HIS105 TYR106 M: TRP32 LYS50 TYR91 ALA92 ASP93 TYR94 TRP95 B: ASN173 TRP179 PRO181 TYR182 ASP183 ASP185 SER186 TRP187 ASN188 PRO189 VAL190 TYR191 ARG200 THR261 THR263 ASN264 LYS266 |
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)
