Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3053 |
| PDBID: | 6VUG |
| Chains: | DC_B |
| Organism: | Human immunodeficiency virus 1, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.00 |
| Reference: | 10.1016/j.str.2021.02.001 |
| Antibody | |
| Antibody: | 6VUG diabody |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Reverse transcriptase P51 |
| Antigen mutation: | Yes |
| Durg Target: | P03366; P04585; P03367; P04587; Q72547; P12497; P35963; P03369; P12499; |
Sequence information
Antibody
Heavy Chain: D
Mutation: NULL
| >6VUG_D|Chain D|Heavy chain variable fragment|Homo sapiens (9606) MEVQLVESGGGLVQPGGSLRLSCAASGFSLSTSGIGVTWVRQAPGKGLEWLATIWWDDDNRYADSVKGRFTISADTSKNTAYLQMNCLTAEDTAVYYCAQSAITSVTDSAMDHWGQGTLVTVSS |
Light Chain: C
Mutation: NULL
| >6VUG_C|Chain C|Light chain variable fragment|Homo sapiens (9606) GGGGSDIQMTQSPSSLSASVGDRVTITCRASQDISSYLNWYQQKPGKAPKLLIYYTSSLHSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQYSKFPWTFGQGTKVEIKGSHHHHHH |
Antigen
Chain: B
Mutation: C296S
| >6VUG_B|Chain B|REVERSE TRANSCRIPTASE P51|Human immunodeficiency virus 1 (11676) MAHHHHHHALEVLFQGPISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQ |
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)
| C: SER159 SER160 TYR161 TYR178 TYR179 THR180 SER181 SER182 SER194 ARG195 GLY197 TYR220 SER221 LYS222 PHE223 TRP225 D: SER29 SER31 THR32 SER33 GLY34 TRP55 TRP56 ASP57 ASP59 ARG61 ILE103 THR104 SER105 VAL106 THR107 ASP108 SER109 B: ILE195 GLY196 ARG199 LYS220 HIS221 LYS223 GLU224 PRO225 PRO226 PHE227 LEU228 TRP229 MET230 GLY231 GLU233 ARG356 MET357 ARG358 GLY359 ALA360 HIS361 THR362 LYS366 LYS374 |
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)
