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Entry information

Complex
AACDB_ID: 1302
PDBID: 5F21
Chains: B_A
Organism: Homo sapiens, Lama glama
Method: XRD
Resolution (Å): 1.90
Reference: 10.1038/srep27055
Antibody
Antibody: MU375 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

>5F21_B|Chain B|nanobody MU375|Lama glama (9844)
DVQLQESGGGSVQAGGSLTLSCTASGLLFRLASMGWYRQAPGKERELIATITVGGKTNYKDSVQGRFIITRDNTGDNTKSTVTLQMNRLKPEDTAVYYCNTASPAVGADTWGQGTRVTVSSEPKTPKPQPAAAHHHHHHGAAEQKLISEEDLNGAA

Antigen

Chain: A
Mutation: NULL

>5F21_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: GLN3 GLY26 LEU27 LEU28 PHE29 LEU31 SER33 LEU47 ILE48 ALA49 THR50 THR52 VAL53 GLY54 LYS56 ASN58 TYR59 LYS60 THR78 ALA102 SER103 PRO104 ALA105 VAL106 GLY107 ASP109 THR110

A: LYS121 PHE135 GLN139 MET142 HIS205 GLU239 TRP241 ASP252 CYS254 SER274 CYS275 LYS276 ASN277 ILE278 TYR279 ARG280 LYS283 PHE284 CYS287 VAL288 PRO291 GLU292 ASP293 SER294 SER295 CYS296 THR297 SER298 GLU299 ILE300

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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