Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 1379 |
| PDBID: | 5GRU |
| Chains: | HL_A |
| Organism: | Escherichia coli K-12, Homo sapiens, Mus musculus |
| Method: | XRD |
| Resolution (Å): | 1.96 |
| Reference: | 10.1038/srep34515 |
| Antibody | |
| Antibody: | 5GRU diabody |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Maltose-binding periplasmic protein |
| Antigen mutation: | No |
| Durg Target: | P0AEX9 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >5GRU_H|Chain B[auth H]|diabody protein|Homo sapiens (9606) EVQLVESGGGLVQPGGSLRLSCAASGFNFSSSSIHWVRQAPGKGLEWVASISSSSGSTSYADSVKGRFTISADTSKNTAYLQMNSLTAEDTAVYYCARGYYYTGLWYPYAMYEFGMDYWGQGTLVTVSSGGGGSDIQLTQSTSSLPASLGDRVTISCRAGQDISNHLNWYQQKPDGTVKLLIYYTSRLHSGVPSRFSGSGSGTDYSLTISNLEQEDIATYFCQQGNTLPWTFGGGSKLEIKSRHHHHHH |
Light Chain: L
Mutation: NULL
| >5GRU_L|Chain C[auth L]|diabody protein|Mus musculus (10090) QVQLKESGPGLVRPSQSLSLTCSVTGYSITSGYYWNWIRQFPGNKLEWMGYISYDGSNNYNPSLKGRISITRDTSKNQFFLKLNSVTTDDTATYYCARAYIGFAYWGQGTLVTVSSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQSVSSAVAWYQQKPGKAPKLLIYSASSLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQSSSSLITFGQGTKVEIK |
Antigen
Chain: A
Mutation: NULL
| >5GRU_A|Chain A|Maltose-binding periplasmic protein|Escherichia coli (83333) KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTLVPRGSAAALEHHHHHH |
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: GLY26 PHE27 ASN28 SER30 SER31 SER54 SER55 SER57 THR58 TYR100 TYR102 LEU105 TRP106 TYR107 PRO108 TYR109 TYR112 GLU113 L: SER152 TYR170 SER174 LEU175 SER177 SER215 A: ASN12 GLY13 ASP14 TYR17 HIS39 ASP41 LYS42 GLU44 TRP62 ALA63 ASP65 ARG66 GLU111 ASN150 GLN152 GLU153 TYR155 PHE156 ASP209 TYR210 SER211 ILE212 GLU214 TRP230 SER233 ASN234 THR237 LYS297 MET330 SER337 TRP340 ARG344 |
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)
