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Entry information

Complex
AACDB_ID: 2700
PDBID: 6PE8
Chains: HL_T
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.84
Reference: 10.1186/s12860-019-0213-4
Antibody
Antibody: ABBV-323 Fab
Antibody mutation: No
INN (Clinical Trial): Ravagalimab(Phase-II)
Antigen
Antigen: Tumor necrosis factor receptor superfamily member 5 (CD40)
Antigen mutation: No
Durg Target: P25942

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6PE8_H|Chain A, C[auth H]|FAB Heavy chain|Homo sapiens (9606)
EVQLVESGGGLVKPGGSLRLSCAASGFTFSDYGMNWVRQAPGKGLEWIAYISSGRGNIYYADTVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARSWGYFDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>6PE8_L|Chain B, D[auth L]|FAB Light chain|Homo sapiens (9606)
DIVMTQSPDSLAVSLGERATINCKSSQSLLNRGNQKNYLTWFQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYTYPLTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: T
Mutation: NULL

>6PE8_T|Chain E[auth T], F[auth U]|Tumor necrosis factor receptor superfamily member 5|Homo sapiens (9606)
EPPTACREKQYLINSQCCSLCQPGQKLVSDCTEFTETECLPCGESEFLDTWNRETHCHQHKYCDPNLGLRVQQKGTSETDTICTCEEGWHCTSEACESCVLHRSCSPGFGVKQIATGVSDTICEPCPVGFFSNVSSAFEKCHPWTSCETKDLVVQQAGTNKTDVVCGPQDRLR

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)

H: ASP31 GLY33 TYR50 SER52 SER53 GLY54 ARG55 ASN57 ILE58 TYR59 ASP62 LYS65 SER99 TRP100 GLY101

L: ASN31 ARG32 GLY33 ASN34 LYS36 TYR38 ASP97 TYR98 THR99 TYR100 LEU102

T: PRO61 CYS62 GLY63 GLU64 SER65 GLN79 HIS80 LYS81 TYR82 CYS83 PRO85 ARG90 VAL91 GLN92 GLN93 LYS94 THR96 GLU98 THR99 THR101

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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