Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 7490 |
| PDBID: | 6MLK |
| Chains: | HL_A |
| Organism: | Saccharopolyspora erythraea, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.45 |
| Reference: | 10.1021/acs.biochem.8b00886 |
| Antibody | |
| Antibody: | 3A6 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Terminal thioesterase (TE) domain of the 6-deoxyerythronolide B synthase |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >6MLK_H|Chain C[auth H]|Heavy chain of Fab 3A6|Homo sapiens (9606) MAQVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQPPGKGLEWIGEINHSGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARGLGYSGSYYAPNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAAAHHHHHHGAAEQKLISEEDLNGAA |
Light Chain: L
Mutation: NULL
| >6MLK_L|Chain B[auth L]|Light chain of Fab 3A6|Homo sapiens (9606) LFAIPLVVPFYSHSALDVVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQGTHWPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >6MLK_A|Chain A|6-deoxyerythronolide-B synthase EryA3, modules 5 and 6|Saccharopolyspora erythraea (1836) MASQLDSGTPAREASSALRDGYRQAGVSGRVRSYLDLLAGLSDFREHFDGSDGFSLDLVDMADGPGEVTVICCAGTAAISGPHEFTRLAGALRGIAPVRAVPQPGYEEGEPLPSSMAAVAAVQADAVIRTQGDKPFVVAGHSAGALMAYALATELLDRGHPPRGVVLIDVYPPGHQDAMNAWLEELTATLFDRETVRMDDTRLTALGAYDRLTGQWRPRETGLPTLLVSAGEPMGPWPDDSWKPTWPFEHDTVAVPGDHFTMVQEHADAIARHIDAWLGGGNSSSVDKLAAALEHHHHHH |
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)
| L: HIS47 SER48 ASN49 TYR51 TYR53 TYR70 LEU71 GLY112 THR113 TRP115 H: SER32 GLY33 TYR34 TYR35 ASN54 HIS55 SER56 SER58 ASN60 TYR103 SER104 GLY105 TYR107 TYR108 A: GLN24 VAL27 SER28 GLY29 ARG30 GLY174 ASP177 ASN180 ALA181 TRP182 GLU184 GLU185 ALA188 THR189 GLU232 PRO233 MET234 GLY235 PRO236 TRP237 PRO238 ASP239 |
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)
