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Entry information

Complex
AACDB_ID: 2378
PDBID: 6K0Y
Chains: AB_C
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.70
Reference: 10.1038/s41598-019-54231-w
Antibody
Antibody: 059c Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Programmed cell death protein 1 (PD-1)
Antigen mutation: No
Durg Target: Q15116

Sequence information

Antibody

Heavy Chain: A
Mutation: NULL

>6K0Y_A|Chain A|Antibody Heavy Chain|Homo sapiens (9606)
QVQLQESGPGLVKPSETLSLTCAVSGHSIRGSYFWGWIRQPPGRGLEWIGSIYHSGSTYTNPSLKSRATISVDTSKNQFSLKLNSVTAADTAVYYCARDLDIATTRDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVE

Light Chain: B
Mutation: NULL

>6K0Y_B|Chain B|Antibody Light Chain|Homo sapiens (9606)
DIQLTQSPSFLSASVGDRVTIICRASQGINNYLAWYQQKPGKAPKLLIYAASTLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCQQLDSYPRTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: C
Mutation: NULL

>6K0Y_C|Chain C|Programmed cell death protein 1|Homo sapiens (9606)
LDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQ

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)

Chain residues position delta_SASA : residuesposition

A: HIS27 GLY31 SER32 TYR33 PHE34 TYR53 SER55 SER57 TYR59 ASP101 ILE102 ALA103

B: GLN27 GLY28 TYR32 LEU91 ASP92 SER93 TYR94 ARG96

C: SER60 GLU61 SER62 PHE63 VAL64 LYS78 PRO83 ASP85 ARG86 ILE126 LEU128 ALA129 PRO130 LYS131 ALA132 GLN133 ILE134

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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