Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 389 |
| PDBID: | 2XRA |
| Chains: | HL_A |
| Organism: | synthetic construct, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.30 |
| Reference: | 10.1371/journal.ppat.1001195 |
| Antibody | |
| Antibody: | HK20 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | HIV-1 gp41 |
| Antigen mutation: | No |
| Durg Target: | Q53I07; P35961; |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >2XRA_H|Chain B[auth H]|HK20, HUMAN MONOCLONAL ANTIBODY HEAVY CHAIN|HOMO SAPIENS (9606) QLVESGAEVKKPGSSVKVSCKTSGGTFNRLAMSWVRQAPGQGLEWMGGIMPIFDITNYAQKFQGRVTIITDESTSTAYMELRSLTSEDSAVYYCARASYSSSSPYAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC |
Light Chain: L
Mutation: NULL
| >2XRA_L|Chain C[auth L]|HK20, HUMAN MONOCLONAL ANTIBODY LIGHT CHAIN|HOMO SAPIENS (9606) DIQMTQSPSSLSPSVGDRVTITCQASQDIRNHLNWYQQKPGKAPKLLIYDASNLATGVPSRFSGSGSGTDFTFTISSLQPEDLATYYCQHYDDLPRITFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGGC |
Antigen
Chain: A
Mutation: NULL
| >2XRA_A|Chain A|TRANSMEMBRANE PROTEIN GP41|SYNTHETIC CONSTRUCT (32630) MQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAGGSGGHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLEGSSGGQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILAGGSGGHTTWMEWDREINNYTSLIHSLIEESQNQQEKNEQELLEGSSGGQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARILALEGGHHHHHHG |
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: ARG31 LEU32 ALA33 ILE53 PHE54 ASP55 ILE56 ASN58 ALA95 SER96 TYR97 SER98 SER99 L: ARG30 ASN31 HIS32 TYR49 ASP92 ASP93 LEU94 A: ALA561 GLN563 HIS564 LEU565 GLN567 LEU568 THR569 TRP571 GLY572 LYS574 GLN575 LEU576 ALA578 ARG579 ALA582 MET1629 ASP1632 ILE1635 ASN1636 THR1639 HIS1643 GLN4563 GLN4567 VAL4570 ILE4573 LYS4574 GLN4577 |
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)
