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Entry information

Complex
AACDB_ID: 5699
PDBID: 7YXU
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.31
Reference: 10.1158/1535-7163.MCT-22-0395
Antibody
Antibody: 1618 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human 4–1BB (CD137)
Antigen mutation: No
Durg Target: Q07011

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7YXU_H|Chain B[auth H]|heavy chain of Fab|Homo sapiens (9606)
EVQLLESGGGLVQPGGSLRLSCAASGFTFSYGSMYWVRQAPGKGLEWVSSISSGSGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSSYYGSYYSIDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7YXU_L|Chain C[auth L]|light chain of Fab|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYYDNLPTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7YXU_A|Chain A|Tumor necrosis factor receptor superfamily member 9|Homo sapiens (9606)
LQDPCSNCPAGTFCDNNRNQICSPCPPNSFSSAGGQRTCDICRQCKGVFRTRKECSSTSNAECDCTPGFHCLGAGCSMCEQDCKQGQELTKKGCKDCSFGTFNDQKRGICRPWTDCSLDGKSVLVQGTKERDVVCGPGSLG

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: SER30 TYR31 GLY32 SER33 SER52 SER53 GLY54 SER55 SER57 TYR59 TYR101 SER104 TYR105 TYR106

L: SER30 TYR32 TYR91 TYR92 ASP93 ASN94

A: PRO32 ALA33 GLY34 THR35 ASN40 ARG41 ASN42 ILE44 CYS45 SER46 PRO47 CYS48 PRO49 PRO50 ASN51 SER52 CYS65 CYS78 SER79 SER80 THR81

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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