Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3009 |
| PDBID: | 6VJA |
| Chains: | HL_C |
| Organism: | Homo sapiens |
| Method: | EM |
| Resolution (Å): | 3.30 |
| Reference: | 10.1126/science.aaz9356 |
| Antibody | |
| Antibody: | Rituximab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Eramkafusp(Phase-I); Ripertamab(Phase-III); Rituximab(Approved); |
| Antigen | |
| Antigen: | B-lymphocyte antigen CD20 |
| Antigen mutation: | No |
| Durg Target: | P11836 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >6VJA_H|Chain C[auth H], D[auth I]|Rituximab Fab heavy chain|Homo sapiens (9606) QVQLQQPGAELVKPGASVKMSCKASGYTFTSYNMHWVKQTPGRGLEWIGAIYPGNGDTSYNQKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYYCARSTYYGGDWYFNVWGAGTTVTVSAASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: L
Mutation: NULL
| >6VJA_L|Chain E[auth L], F[auth M]|Rituximab Fab light chain|Homo sapiens (9606) QIVLSQSPAILSASPGEKVTMTCRASSSVSYIHWFQQKPGSSPKPWIYATSNLASGVPVRFSGSGSGTSYSLTISRVEAEDAATYYCQQWTSNPPTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
| >6VJA_C|Chain A[auth C], B[auth D]|B-lymphocyte antigen CD20|Homo sapiens (9606) MGSTQSFFMRESKTLGAVQIMNGLFHIALGGLLMIPAGIYAPICVTVWYPLWGGIMYIISGSLLAATEKNSRKCLVKGKMIMNSLSLFAAISGMILSIMDILNIKISHFLKMESLNFIRAHTPYINIYNCEPANPSEKNSPSTQYCYSIQSLFLGILSVMLIFAFFQELVIAGIVENEWKRTCSRPKSNIVLLSAEEKKEQTIEIKEEVVGLTETSSQPKNEEDIEIIPIQEEEEEETETNFPEPPQDQESSPIENDSSPGNSENLYFQGHHHHHHHH |
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: ASN33 HIS35 TRP47 ALA50 ILE51 ASN54 ASP56 THR57 SER58 L: GLN1 ILE2 SER26 SER28 SER29 VAL30 SER31 GLY68 THR69 TRP91 THR92 SER93 ASN94 PRO96 C: ILE76 LYS148 ARG156 PRO160 TYR161 ASN163 ASN166 GLU168 PRO169 ALA170 ASN171 PRO172 SER173 GLU174 LYS175 ASN176 |
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)
