Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 2096 |
| PDBID: | 6C9U |
| Chains: | HL_A |
| Organism: | Saccharopolyspora erythraea, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.09 |
| Reference: | 10.1021/jacs.8b02100 |
| Antibody | |
| Antibody: | 1B2 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | 6-deoxyerythronolide-B synthase EryA2, modules 3 and 4 |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >6C9U_H|Chain C[auth H]|Heavy chain of Fab 1B2|Homo sapiens (9606) MAEVQLVQSGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKAYGGTTEYAASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRGGTLFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAALVPRGSAHHHHHHAADYKDDDDKA |
Light Chain: L
Mutation: NULL
| >6C9U_L|Chain B[auth L]|Light chain of Fab 1B2|Homo sapiens (9606) LFAIPLVVPFYSHSALDVVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQSLQTPRLTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPRGAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >6C9U_A|Chain A|6-deoxyerythronolide-B synthase EryA2, modules 3 and 4|Saccharopolyspora erythraea (1836) MVTDSEKVAEYLRRATLDLRAARQRIRELESDPIAIVSMACRLPGGVNTPQRLWELLREGGETLSGFPTDRGWDLARLHHPDPDNPGTSYVDKGGFLDDAAGFDAEFFGVSPREAAAMDPQQRLLLETSWELVENAGIDPHSLRGTATGVFLGVAKFGYGEDTAAAEDVEGYSVTGVAPAVASGRISYTMGLEGPSISVDTACSSSLVALHLAVESLRKGESSMAVVGGAAVMATPGVFVDFSRQRALAADGRSKAFGAGADGFGFSEGVTLVLLERLSEARRNGHEVLAVVRGSALNQDGASNGLSAPSGPAQRRVIRQALESCGLEPGDVDAVEAHGTGTALGDPIEANALLDTYGRDRDADRPLWLGSVKSNIGHTQAAAGVTGLLKVVLALRNGELPATLHVEEPTPHVDWSSGGVALLAGNQPWRRGERTRRAAVSAFGISGTNAHVIVEEAPEREHRETTAHDGRPVPLVVSARSTAALRAQAAQIAELLERPDADLAGVGLGLATTRARHEHRAAVVASTREEAVRGLREIAAGAATADAVVEGVTEVDGRNVVFLFPGQGSQWAGMGAELLSSSPVFAGKIRACDESMAPMQDWKVSDVLRQAPGAPGLDRVDVVQPVLFAVMVSLAELWRSYGVEPAAVVGHSQGEIAAAHVAGALTLEDAAKLVVGRSRLMRSLSGEGGMAAVALGEAAVRERLRPWQDRLSVAAVNGPRSVVVSGEPGALRAFSEDCAAEGIRVRDIDVDYASHSPQIERVREELLETTGDIAPRPARVTFHSTVESRSMDGTELDARYWYRNLRETVRFADAVTRLAESGYDAFIEVSPHPVVVQAVEEAVEEADGAEDAVVVGSLHRDGGDLSAFLRSMATAHVSGVDIRWDVALPGAAPFALPTYPFQRKRYWLQPAAPAAASDELAYRSSSVDKLAAALEHHHHHH |
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 TYR70 LEU71 ASN74 ARG75 SER77 ASP81 ARG98 GLU100 A: SER5 GLU6 VAL8 ALA9 LEU12 ARG13 THR16 LEU19 ARG23 ARG27 GLY326 LEU327 GLU328 GLY330 ASP331 |
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)
