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Entry information

Complex
AACDB_ID: 6897
PDBID: 4JZJ
Chains: HL_C
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 2.80
Reference: 10.1016/j.celrep.2014.06.038
Antibody
Antibody: CSL362 Fab
Antibody mutation: No
INN (Clinical Trial): Talacotuzumab(Phase-II)
Antigen
Antigen: Interleukin-3 receptor subunit alpha
Antigen mutation: No
Durg Target: P26951

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4JZJ_H|Chain C[auth A], E[auth H]|Fab Heavy Chain|Mus musculus (10090)
EVQLVQSGAEVKKPGESLKISCKGSGYSFTDYYMKWARQMPGKGLEWMGDIIPSNGATFYNQKFKGQVTISADKSISTTYLQWSSLKASDTAMYYCARSHLLRASWFAYWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: L
Mutation: NULL

>4JZJ_L|Chain D[auth B], F[auth L]|Fab Light Chain|Mus musculus (10090)
DIVMTQSPDSLAVSLGERATINCESSQSLLNSGNQKNYLTWYQQKPGQPPKPLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYSYPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>4JZJ_C|Chain A[auth C], B[auth D]|Interleukin-3 receptor subunit alpha|Homo sapiens (9606)
KEDPNPPITNLRMKAKAQQLTWDLNRNVTDIECVKDADYSMPAVNNSYCQFGAISLCEVTNYTVRVANPPFSTWILFPENSGKPWAGAENLTCWIHDVDFLSCSWAVGPGAPADVQYDLYLNVAKRQQYECLHYKTDAQGTRIGCRFDDISRLSSGSQSSHILVRGRSAAFGIPCTDKFVVFSQIEILTPPNMTAKCNKTHSFMHWKMRSHFNRKFRYELQIQKRMQPVITEQVRDRTSFQLLNPGTYTVQIRARERVYEFLSAWSTPQRFECDQEEGVNTRAWRTS

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: THR30 ASP31 TYR32 TYR33 ASP50 ILE52 SER54 ALA57 PHE59 TYR60 GLN62 SER99 HIS100 LEU101 LEU102 ARG103 ALA104 SER105

L: ASP1 ASN31 GLY33 ASN34 TYR38 TRP56 TYR98 SER99 TYR100 TYR102

C: THR48 ASP49 GLU51 VAL53 ALA56 ASP57 TYR58 SER59 MET60 PRO61 ALA62 VAL63 ASN64 THR82 ARG84 VAL85 ALA86 ASN87 PRO88 PRO89 PHE90 SER91

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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