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Entry information

Complex
AACDB_ID: 3368
PDBID: 7AMR
Chains: HL_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.95
Reference: 10.21203/rs.3.rs-1475171/v1
Antibody
Antibody: KFN mutant of Jovi-1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: T cell receptor β-chain constant domains 1 (TRBC1)
Antigen mutation: No
Durg Target: P01850

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7AMR_H|Chain C[auth H]|Human Jovi-1 Fab fragment, KFN mutant, heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGASVKVSCKASGYKFTGFVMHWVRQAPGQGLEWMGFINPYNDDIQSNERFRGRVTMTRDTSISTAYMELSRLRSDDTAVYYCARGNGYNFDGAYRFFDFWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: L
Mutation: NULL

>7AMR_L|Chain D[auth L]|Human Jovi-1 Fab fragment, KFN mutant, light chain|Homo sapiens (9606)
DIVMTQSPLSLPVTPGEPASISCRSSQRLVHSNGNTYLHWYLQKPGQSPRLLIYRVSNRFPGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCSQSTHVPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: NULL

>7AMR_B|Chain B|Human T-cell receptor beta chain TRBC2|Homo sapiens (9606)
MNAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASRPGLAGGRPEQYFGPGTRLTVTEDLNKVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD

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: GLY26 TYR27 LYS28 PHE32 TYR54 ARG98 ASN100 GLY101 TYR102 ASN103 ASP105 GLY106 ALA107 PHE110

L: ASN33 ASN35 TYR37 TYR54 ARG55 ARG59 PHE60 PRO61 GLY62

B: GLU116 ASP117 ASN119 LYS120 PHE122 GLN181 LEU184 ASP186 ARG188 GLU223 TRP224 THR225 GLN226 ASP227 ARG228

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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