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Entry information

Complex
AACDB_ID: 2774
PDBID: 6QIG
Chains: HL_A
Organism: Rattus norvegicus, Homo sapiens
Method: XRD
Resolution (Å): 2.80
Reference: 10.1038/s41467-019-11474-5
Antibody
Antibody: 3H9 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: A disintegrin and metalloproteinase with thrombospondin motifs 13 (ADAMTS13 )
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6QIG_H|Chain B[auth H]|Antibody Heavy Chain|Rattus norvegicus (10116)
EVQLVESGGDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGTYTYYADTVKGRFTISRDNAKNNLYLQMSSLTSEDSAMFYCARRVAWDHGSTYDYAMDYWGQGTTVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDC

Light Chain: L
Mutation: NULL

>6QIG_L|Chain A[auth L]|Antibody Light Chain|Rattus norvegicus (10116)
DIELTQAPATLSVTPGDRVSLSCRASQSLSNYLAWYQQKSGEGPRLLINYVSQSISGIPSRFSGSGSGTDYTLSINSVETEDFGMYFCQQYSRLPFTFGAGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE

Antigen

Chain: A
Mutation: E147Q

>6QIG_A|Chain C[auth A]|A disintegrin and metalloproteinase with thrombospondin motifs 13|Homo sapiens (9606)
ILHLELLVAVGPDVFQAHQEDTERYVLTNLNIGAELLRDPSLGAQFRVHLVKMVILTEPEGAPNITANLTSSLLSVCGWSQTINPEDDTDPGHADLVLYITRFDLELPDGNRQVRGVTQLGGACSPTWSCLITEDTGFDLGVTIAHQIGHSFGLEHDGAPGSGCGPSGHVMASDGAAPRAGLAWSPCSRRQLLSLLSAGRARCVWDPPRPQPGSAGHPPDAQPGLYYSANEQCRVAFGPKAVACTFAREHLDMCQALSCHTDPLDQSSCSRLLVPLLDGTECGVEKWCSKGRCRSLVELTPIAAVHGRWSSWGPRSPCSRSCGGGVVTRRRQCNNPRPAFGGRACVGADLQAEMCNTQACEKTQLEFMSQQCARTDGQPLRSSPGGASFYHWGAAVPHSQGDALCRHMCRAIGESFIMKRGDSFLDGTRCMPSGPREDGTLSLCVSGSCRTFGCDGRMDSQQVWDRCQVCGGDNSTCSPRKGSFTAGRAREYVTFLTVTPNLTSVYIANHRPLFTHLAVRIGGRYVVAGKMSISPNTTYPSLLEDGRVEYRVALTEDRLPRLEEIRIWGPLQEDADIQVYRRYGEEYGNLTRPDITFTYFQPKP

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)

L: ILE55 SER56 ARG93 PRO95

H: GLY26 PHE27 THR28 SER30 SER31 TYR32 SER52 SER53 GLY54 THR56 TYR57 TYR59 ASN74 ALA75 ARG98 ARG99 TRP102 ASP103 HIS104 GLY105 SER106 THR107 TYR108 TYR110 ASP113 TYR114

A: LEU147 THR148 LEU151 LEU185 PRO186 ASP187 GLY188 ASN189 ARG190 GLN191 VAL192 VAL195 THR196 GLN197 LEU198 GLY231 GLU233 HIS234 ASP235 GLY236 ALA237 PRO238 GLY239 SER240 PRO244 SER251 ASP252 CYS265 ARG268 GLN269 LEU273

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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