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Entry information

Complex
AACDB_ID: 2357
PDBID: 6J14
Chains: AB_G
Organism: Mus musculus, Homo sapiens
Method: XRD
Resolution (Å): 1.40
Reference: 10.1016/j.isci.2019.03.017
Antibody
Antibody: GY-14 Fv
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

>6J14_A|Chain A|GY-14 heavy chain V fragment|Mus musculus (10090)
QVQLQQSGAELVRPGASVKLSCKALGDTFTDYEIHWVKQTPVHGLEWIGVIHPGSGGTVYNQKFKGKATLTADKYSSTAYMELSSLTSEDSAVYYCTREGMNTDWYFDVWGAGTTVTVSS

Light Chain: B
Mutation: NULL

>6J14_B|Chain B|GY-14 light chain V fragment|Mus musculus (10090)
DILMTQDELSLPVSLGDQASISCRSSQTIVHTNGNTYLEWYLQKPGQSPKLLIYKVSNRFSGVPDRFSGSGSGTYFTLKISRLEAEDLGVYYCFQGSHVPYTFGGGTKLEMK

Antigen

Chain: G
Mutation: NULL

>6J14_G|Chain C[auth G]|Programmed cell death protein 1|Homo sapiens (9606)
NPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTER

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)

A: ASP31 GLU33 VAL50 HIS52 GLY54 SER55 GLY57 THR58 VAL59 LYS74 GLU99 GLY100 MET101 ASN102 THR103 TRP105 TYR106

B: HIS31 THR32 ASN33 TYR37 GLY96 SER97 HIS98 VAL99 TYR101

G: VAL64 ASN66 LYS78 ILE126 LEU128 ALA129 PRO130 LYS131 ALA132 GLN133 ILE134

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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