Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1830 |
| PDBID: | 5VL3 |
| Chains: | HL_Q |
| Organism: | Homo sapiens, Mus musculus |
| Method: | XRD |
| Resolution (Å): | 3.10 |
| Reference: | 10.1038/s41467-017-00836-6 |
| Antibody | |
| Antibody: | Epratuzumab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | B-cell receptor CD22 |
| Antigen mutation: | Yes |
| Durg Target: | P20273 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >5VL3_H|Chain E[auth A], F[auth C], G[auth E], H|Epratuzumab Fab Heavy Chain|Mus musculus (10090) ETGQVQLVQSGAEVKKPGSSVKVSCKASGYTFTSYWLHWVRQAPGQGLEWIGYINPRNDYTEYNQNFKDKATITADESTNTAYMELSSLRSEDTAFYFCARRDITTFYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSC |
Light Chain: L
Mutation: NULL
| >5VL3_L|Chain I[auth B], J[auth D], K[auth F], L|Epratuzumab Fab Light Chain|Mus musculus (10090) ETGDIQLTQSPSSLSASVGDRVTMSCKSSQSVLYSANHKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTLTISSLQPEDIATYYCHQYLSSWTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: Q
Mutation: N50Q/N95Q/N118Q/N147Q
| >5VL3_Q|Chain A[auth Q], B[auth R], C[auth S], D[auth T]|B-cell receptor CD22|Homo sapiens (9606) TGDSSKWVFEHPETLYAWEGACVWIPCTYRALDGDLESFILFHNPEYNKQTSKFDGTRLYESTKDGKVPSEQKRVQFLGDKNKNCTLSIHPVHLQDSGQLGLRMESKTEKWMERIHLQVSERPFPPHIQLPPEIQESQEVTLTCLLQFSCYGYPIQLQWLLEGVPMRQAAVTSTSLTIKSVFTRSELKFSPQWSHHGKIVTCQLQDADGKFLSNDTVQLNVKHTPKLEIKVTPSDAIVREGDSVTMTCEVSSSNPEYTTVSWLKDGTSLKKQNTFTLNLREVTKDQSGKYCCQVSNDVGPGRSEEVFLQVQYAGGTKHHHHHH |
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: THR28 THR30 SER31 TYR32 TRP33 HIS35 TYR50 ARG53 ASN54 TYR56 THR57 GLU58 TYR59 GLN61 LYS64 ARG95 ASP96 ILE97 L: ASP1 ILE2 SER26 ALA27 ASN28 HIS29 TYR32 TRP50 LEU92 SER93 Q: PRO142 HIS144 ILE145 LEU147 PRO149 LEU178 GLU179 GLY180 VAL181 ARG184 TRP210 SER211 HIS212 HIS213 GLY214 LYS215 ILE216 THR218 ASP232 THR233 VAL234 GLN235 LEU236 ASN237 LYS239 GLU245 LYS247 CYS265 GLU266 VAL267 SER268 SER269 SER270 ASN271 PRO272 GLU273 TYR274 PHE292 |
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)
