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Entry information

Complex
AACDB_ID: 641
PDBID: 3RAJ
Chains: HL_A
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 3.04
Reference: Not available or To be published
Antibody
Antibody: HB7 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: ADP-ribosyl cyclase 1
Antigen mutation: No
Durg Target: P28907

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3RAJ_H|Chain B[auth H]|heavy chain of the Fab fragment of antibody HB7|Mus musculus (10090)
TLVQLKQSGPSLVQPSQRLSITCTVSGFSLISYGVHWVRQSPGKGLEWLGVIWRGGSTDYNAAFMSRLSITKDNSKSQVFFKMNSLQADDTAIYFCAKTLITTGYAMDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIENR

Light Chain: L
Mutation: NULL

>3RAJ_L|Chain C[auth L]|light chain of the Fab fragment of antibody HB7|Mus musculus (10090)
IQMTQSSSSFSVSLGDRVTITCKASEDIYNRLAWYQQKPGNAPRLLISGATSLETGVPSRFSGSGSGKDYTLSITSLQTEDVATYYCQQYWSTPTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE

Antigen

Chain: A
Mutation: NULL

>3RAJ_A|Chain A|ADP-ribosyl cyclase 1|Homo sapiens (9606)
EFWRQTWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFDTSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI

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)

H: ILE31 SER32 ARG54 GLY55 ILE101 THR102 THR103 GLY104 TYR105

L: TYR29 ASN30 ARG31 GLY49 TYR90 TRP91

A: ASP202 PRO232 GLU233 VAL235 GLN236 THR237 ASP252 CYS254 GLN255 LYS260 GLU263 SER267 ASN270 GLN272 PHE273 SER274 CYS275 LYS276

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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