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Entry information

Complex
AACDB_ID: 3782
PDBID: 7JIC
Chains: HL_A
Organism: Homo sapiens, Mus musculus
Method: EM
Resolution (Å): 3.80
Reference: 10.1126/science.abd9836
Antibody
Antibody: Coltuximab Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: B-lymphocyte antigen CD19
Antigen mutation: No
Durg Target: P15391

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7JIC_H|Chain C[auth H]|Coltuximab Heavy Chain|Mus musculus (10090)
QVQLVQPGAEVVKPGASVKLSCKTSGYTFTSNWMHWVKQAPGQGLEWIGEIDPSDSYTNYNQNFQGKAKLTVDKSTSTAYMEVSSLRSDDTAVYYCARGSNPYYYAMDYWGQGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGSGLEVLFQ

Light Chain: L
Mutation: NULL

>7JIC_L|Chain D[auth L]|Coltuximab Light Chain|Mus musculus (10090)
EIVLTQSPAIMSASPGERVTMTCSASSGVNYMHWYQQKPGTSPRRWIYDTSKLASGVPARFSGSGSGTDYSLTISSMEPEDAATYYCHQRGSXXYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>7JIC_A|Chain A|B-lymphocyte antigen CD19|Homo sapiens (9606)
DYKDDDDLEVLFQGPPEEPLVVKVEEGDNAVLQCLKGTSDGPTQQLTWSRESPLKPFLKLSLGLPGLGIHMRPLAIWLFIFNVSQQMGGFYLCQPGPPSEKAWQPGWTVNVEGSGELFRWNVSDLGGLGCGLKNRSSEGPSSPSGKLMSPKLYVWAKDRPEIWEGEPPCLPPRDSLNQSLSQDLTMAPGSTLWLSCGVPPDSVSRGPLSWTHVHPKGPKSLLSLELKDDRPARDMWVMETGLLLPRATAQDAGKYYCHRGNLTMSFHLEITARPVLWHWLLRTGGWKVSAVTLAYLIFCLCSLVGILHLQRALVLRRKRKRMT

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

H: THR30 SER31 ASN32 TRP33 SER53 ASP54 TYR56 ASN58 GLY98 SER99 ASN100 PRO101 TYR102 TYR103 TYR104

L: SER27 GLY28 ASN30 TYR31 ASP49 ARG90

A: GLY67 LEU68 GLN90 MET91 LYS105 TYR157 LYS161 ASP162 ARG163 PRO164 GLU165 ILE166 VAL217 HIS218 PRO219 LYS220 GLY221 PRO222 LYS223 SER224

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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