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Entry information

Complex
AACDB_ID: 3599
PDBID: 7DHA
Chains: CB_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.55
Reference: 10.1016/j.bbrc.2020.12.048
Antibody
Antibody: Daratumumab Fab
Antibody mutation: No
INN (Clinical Trial): Daratumumab(Approved)
Antigen
Antigen: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (CD38)
Antigen mutation: No
Durg Target: P28907

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>7DHA_C|Chain C|Heavy Chain|Homo sapiens (9606)
EVQLLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVSAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHHHHHH

Light Chain: B
Mutation: NULL

>7DHA_B|Chain B|Light chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7DHA_A|Chain A|ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1|Homo sapiens (9606)
RWRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFATSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEIGTKHHHHHH

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)

B: TYR32 TYR49 ASN53 ARG54 ALA55 THR56 ARG91 SER92 ASN93 TRP94

C: GLU1 VAL2 GLY26 PHE27 THR28 ASN30 SER31 PHE32 SER52 GLY53 SER54 GLY56 GLY57 THR58 TYR59 TYR60 LYS98 LYS100 LEU102 TRP103 PHE104 GLY105 GLU106 ASP110 TYR111

A: ASN76 LYS77 PHE91 GLN95 ASP97 MET98 ASP158 VAL159 HIS161 GLN192 THR193 GLU195 TRP197 ASP208 GLN228 PHE229 SER230 CYS231 LYS232 ASN233 PHE240 CYS243 VAL244 PRO247 GLU248 SER251 CYS252 THR253 GLU255 ILE256

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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