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Entry information

Complex
AACDB_ID: 2210
PDBID: 6FXN
Chains: DE_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.90
Reference: 10.1038/s41467-018-03323-8
Antibody
Antibody: belimumab Fab
Antibody mutation: No
INN (Clinical Trial): Belimumab(Approved)
Antigen
Antigen: Tumor necrosis factor ligand superfamily member 13B
Antigen mutation: No
Durg Target: Q9Y275

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>6FXN_D|Chain D, F, H, M, O, Q|belimumab heavy chain|Homo sapiens (9606)
QVQLQQSGAEVKKPGSSVRVSCKASGGTFNNNAINWVRQAPGQGLEWMGGIIPMFGTAKYSQNFQGRVAITADESTGTASMELSSLRSEDTAVYYCARSRDLLLFPHHALSPWGRGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKS

Light Chain: E
Mutation: NULL

>6FXN_E|Chain E, G, I, N, P, R|belimumab light chain|Homo sapiens (9606)
SSELTQDPAVSVALGQTVRVTCQGDSLRSYYASWYQQKPGQAPVLVIYGKNNRPSGIPDRFSGSSSGNTASLTITGAQAEDEADYYCSSRDSSGNHWVFGGGTELTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>6FXN_A|Chain A, B, C, J, K, L|Tumor necrosis factor ligand superfamily member 13B|Homo sapiens (9606)
MRGSHHHHHHGSAVQGPEETVTQDCLQLIADSETPTIQKGSYTFVPWLLSFKRGSALEEKENKILVKETGYFFIYGQVLYTDKTYAMGHLIQRKKVAVFGDELSLVTLFRCIQNMPETLPNNSCYSAGIAKLEEGDELQLAIPRENAQISLDGDVTFFGALKLL

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)

D: ASN31 MET54 PHE55 GLY56 THR57 LYS59 ASP101 LEU102 LEU103 LEU104 PRO106 HIS107

E: LEU27 ARG28 SER29 TYR30 TYR31 LYS50 SER64 SER65 SER66 GLY67 SER93 GLY94 ASN95 HIS96

A: LYS160 GLY161 SER162 TYR163 THR205 TYR206 ALA207 MET208 GLY209 LEU211 GLN213 LYS215 VAL219 GLY221 ASP222 GLU223 LEU224 SER225 LEU226 THR228 ARG231 ILE233 PRO264 ARG265 GLU266

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)

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