Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3118 |
| PDBID: | 6WH9 |
| Chains: | BC_G |
| Organism: | Saccharopolyspora erythraea, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.75 |
| Reference: | 10.1021/jacs.0c05133 |
| Antibody | |
| Antibody: | 1D10 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | module 1 of the 6-deoxyerythronolide B synthase (KR1) |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: B
Mutation: NULL
| >6WH9_B|Chain B, D[auth E], F[auth H]|1D10 (Fab heavy chain)|Homo sapiens (9606) MAEVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAPGQGLEWMGWISAYNGNTNYAQKLQGRVTMTTDTSTSTAYMELRSLRSDDTAVYYCARAPNYGDYVAFDIWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAAAHHHHHHAADYKDDDDKA |
Light Chain: C
Mutation: NULL
| >6WH9_C|Chain C, E[auth F], G[auth I]|1D10 (Fab light chain)|Homo sapiens (9606) LFAIPLVVPFYSHSAQTVVIQEPSLTVSPGGTVTLTCGSSTGAVTSGHYPYWFQQKPGQAPRTLIYDTSNKHSWTPARFSGSLLGGKAALTLSGAQPEDEAEYYCLLSYSGALWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSRKSYSCQVTHEGSTVEKTVAPAECS |
Antigen
Chain: G
Mutation: NULL
| >6WH9_G|Chain A, H[auth D], I[auth G]|KR1|Saccharopolyspora erythraea (1836) GSHMDEVSALRYRIEWRPTGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGARVRELVVDARCGRDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAELGCPLWTVTESAVATGPFERVRNAAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRWVRAAAPATDDEWKPTGTVLVTGGTGGVGGQIARWLARRGAPHLLLVSRSGPDADGAGELVAELEALGARTTVAACDVTDRESVRELLGGIGDDVPLSAVFHAAATLDDGTVDTLTGERIERASRAKVLGARNLHELTRELDLTAFVLFSSFASAFGAPGLGGYAPGNAYLDGLAQQRRSDGLPATAVAWGTWAGSGMAEGPVADRFRRHGVIEMPPETACRALQNALDRAEVCPIVIDVRWDRFLLAYTAQRPTRLFDEIDDARRAAPQAAAEPRVGA |
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)
| B: THR30 SER32 SER33 TYR34 TRP52 TYR56 ASN57 ASN59 GLN64 TYR104 GLY105 ASP106 TYR107 VAL108 C: GLN16 THR17 SER40 THR41 GLY42 ALA43 THR45 SER46 GLY47 HIS48 TYR49 TYR66 ASP67 ASN70 LEU83 SER108 TYR109 SER110 ALA112 LEU113 G: ARG1512 ASP1513 THR1674 SER1697 ARG1698 SER1699 PRO1701 ASP1702 ALA1703 ASP1704 ALA1724 ASP1726 THR1728 ASP1729 SER1732 GLU1735 LEU1756 ASP1757 ASP1758 GLY1759 THR1760 ASP1762 THR1763 THR1765 GLU1767 ARG1768 ARG1771 ALA1772 ARG1774 ALA1775 PRO1808 GLY1809 |
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)
