Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6113 |
| PDBID: | 8EE1 |
| Chains: | BC_A |
| Organism: | Saccharopolyspora erythraea, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.70 |
| Reference: | 10.1021/acs.biochem.3c00156 |
| Antibody | |
| Antibody: | AA5 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Saccharopolyspora erythraea's the ketosynthase-acyltransferase (KS-AT) core of module 2 of the 6-deoxyerythronolide B synthase (DEBS) |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: B
Mutation: NULL
| >8EE1_B|Chain B, E[auth G]|AA5 antibody heavy chain|Homo sapiens (9606) MAQVQLQQWGAGLLKPSETLSLTCAVYGGSFSGYYWSWIRQPPGKGLEWIGEINHSGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARGRGSSSSFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAAAHHHHHHGAAEQKLISEEDLNGAA |
Light Chain: C
Mutation: NULL
| >8EE1_C|Chain C, F[auth H]|AA5 antibody light chain|Homo sapiens (9606) LFAIPLVVPFYSHSALETTLTQSPGTLSLSPGERATLSCRASQSVSSYYLAWYQQKPGQAPRLLMYGASNRATGIPDRFSGSGSGTDFTLTIARLEPEDFAVYFCQQYGTSPQTFGQGTNVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKLYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >8EE1_A|Chain A, D|6-deoxyerythronolide B synthase|Saccharopolyspora erythraea (1836) MASTDSEKVAEYLRRATLDLRAARQRIRELESEPIAIVGMACRLPGEVDSPERLWELITSGRDSAAEVPDDRGWVPDELMASDAAGTRRAHGNFMAGAGDFDAAFFGISPREALAMDPQQRQALETTWEALESAGIPPETLRGSDTGVFVGMSHQGYATGRPRPEDGVDGYLLTGNTASVASGRIAYVLGLEGPALTVDTACSSSLVALHTACGSLRDGDCGLAVAGGVSVMAGPEVFTEFSRQGALSPDGRCKPFSDEADGFGLGEGSAFVVLQRLSDARREGRRVLGVVAGSAVNQDGASNGLSAPSGVAQQRVIRRAWARAGITGADVAVVEAHGTGTRLGDPVEASALLATYGKSRGSSGPVLLGSVKSNIGHAQAAAGVAGVIKVLLGLERGVVPPMLCRGERSGLIDWSSGEIELADGVREWSPAADGVRRAGVSAFGVSGTNAHVIIAEPPEPEPVPQPRRMLPATGVVPVVLSARTGAALRAQAGRLADHLAAHPGIAPADVSWTMARARQHFEERAAVLAADTAEAVHRLRAVADGAVVPGVVTGSASDGGSVFVFPGQGAQWEGMARELLPVPVFAESIAECDAVLSEVAGFSVSEVLEPRPDAPSLERVDVVQPVLFAVMVSLARLWRACGAVPSAVIGHSQGEIAAAVVAGALSLEDGMRVVARRSRAVRAVAGRGSMLSVRGGRSDVEKLLADDSWTGRLEVAAVNGPDAVVVAGDAQAAREFLEYCEGVGIRARAIPVDYASHTAHVEPVRDELVQALAGITPRRAEVPFFSTLTGDFLDGTELDAGYWYRNLRHPVEFHSAVQALTDQGYATFIEVSPHPVLASSVQETLDDAESDAAVLGTLERDAGDADRFLTALADAHTRGVAVDWEAVLGRAGLVDLPGYPFQGKRFWLLPDRTTPRDELDGAAALEHHHHHH |
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: GLN3 GLY29 SER30 SER32 GLY33 TYR34 TYR35 HIS55 ARG99 ARG101 GLY102 SER103 SER104 SER105 SER106 ASP108 TYR109 C: GLU17 GLN43 SER46 TYR48 TYR49 LEU63 TYR66 GLY67 ASN70 ALA72 THR73 TYR108 GLY109 THR110 SER111 PRO112 A: VAL463 PRO464 GLN465 PRO466 ARG467 MET469 LEU580 PRO581 PRO583 VAL584 ALA586 GLU587 SER588 ILE589 ALA590 GLU591 ASP593 ALA594 VAL595 SER597 GLU598 SER603 VAL604 VAL607 ARG636 ARG639 ALA640 LEU667 ALA886 ARG890 |
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)
