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Entry information

Complex
AACDB_ID: 1301
PDBID: 5F1O
Chains: B_A
Organism: Homo sapiens, Lama glama
Method: XRD
Resolution (Å): 2.20
Reference: 10.1038/srep27055
Antibody
Antibody: MU551 Nanobody
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(CD38)
Antigen mutation: No
Durg Target: P28907

Sequence information

Antibody

Chain: B
Mutation: NULL

>5F1O_B|Chain B|nanobody MU551|Lama glama (9844)
DVQLQESGGGLVQAGHSLRLSCVGSGSRFDNYAMGWFRQAPGKEREFVAAISWSSGTTRYLDTVKGRFTISRDNAKSTVYLQMNSLKPEDTAVYYCAARYQPRYYDSGDMDGYEYDNWGQGTQVTVSSEPKTPKPQPAAAHHHHHHGAAEQKLISEEDLNGAA

Antigen

Chain: A
Mutation: NULL

>5F1O_A|Chain A|ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1|Homo sapiens (9606)
WRQTWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFDTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI

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

B: ASP1 GLN3 SER25 GLY26 SER27 ARG28 ASP30 ASN31 TYR32 TRP53 SER54 SER55 GLY56 THR57 TYR100 GLN101 PRO102 ARG103 TYR104 TYR105 ASP106 SER107

A: LYS69 TYR70 GLU72 ILE73 HIS74 PRO75 ARG78 THR136 GLN137 VAL138 GLN139 ARG140 ASP141 MET142 PHE143 ASP147 TYR152 VAL288 LYS289 ASN290 PRO291 GLU292

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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