Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6112 |
| PDBID: | 8EE0 |
| Chains: | HL_A |
| Organism: | Saccharopolyspora erythraea, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.65 |
| Reference: | 10.1021/acs.biochem.3c00156 |
| Antibody | |
| Antibody: | 1B2 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: H
Mutation: NULL
| >8EE0_H|Chain C[auth H]|1B2 antibody heavy chain|Homo sapiens (9606) MAEVQLVQSGGGLVQPGRSLRLSCTASGFTFGDYAMSWVRQAPGKGLEWVGFIRSKAYGGTTEYAASVKGRFTISRDDSKSIAYLQMNSLKTEDTAVYYCTRGGTLFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAALVPRGSAHHHHHHAADYKDDDDKA |
Light Chain: L
Mutation: NULL
| >8EE0_L|Chain B[auth L]|1B2 antibody light chain|Homo sapiens (9606) LFAIPLVVPFYSHSALDVVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQSLQTPRLTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPRGAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: NULL
| >8EE0_A|Chain A|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)
| Chain residues position delta_SASA
: residuesposition L: HIS47 ASN49 TYR53 ASP55 LEU67 TYR70 LEU71 ASN74 ARG75 ALA76 SER77 SER112 LEU113 THR115 PRO116 H: ASP33 TYR34 ALA35 PHE52 ARG54 TYR58 GLU63 ARG102 GLY103 GLY104 THR105 LEU106 ASP108 ASN162 SER163 ALA165 ILE202 LYS213 ASP215 A: ALA2 SER3 THR4 ASP5 SER6 GLU7 LYS8 VAL9 ALA10 GLU11 TYR12 ARG14 ARG15 ALA16 LEU18 ASP19 ALA22 ARG778 ARG779 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)
