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Entry information

Complex
AACDB_ID: 68
PDBID: 1JPS
Chains: HL_T
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.85
Reference: 10.1006/jmbi.2001.5036
Antibody
Antibody: D3H44 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: tissue factor
Antigen mutation: No
Durg Target: P13726

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>1JPS_H|Chain B[auth H]|immunoglobulin Fab D3H44, heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFNIKEYYMHWVRQAPGKGLEWVGLIDPEQGNTIYDPKFQDRATISADNSKNTAYLQMNSLRAEDTAVYYCARDTAAYFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

Light Chain: L
Mutation: NULL

>1JPS_L|Chain A[auth L]|immunoglobulin Fab D3H44, light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASRDIKSYLNWYQQKPGKAPKVLIYYATSLAEGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCLQHGESPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: T
Mutation: NULL

>1JPS_T|Chain C[auth T]|tissue factor|Homo sapiens (9606)
SGTTNTVAAYNLTWKSTNFKTILEWEPKPVNQVYTVQISTKSGDWKSKCFYTTDTECDLTDEIVKDVKQTYLARVFSYPAGNVESTGSAGEPLYENSPEFTPYLETNLGQPTIQSFEQVGTKVNVTVEDERTLVRRNNTFLSLRDVFGKDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDKGENYCFSVQAVIPSRTVNRKSTDSPVECMGQEKGEFRE

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: ARG27 LYS30 TYR32 TYR50 HIS91 GLY92 GLU93 SER94 TRP96

H: LYS30 GLU31 TYR32 TYR33 LEU50 ASP52 GLU54 GLN55 ASN57 THR58 ILE59 TYR60 PRO62 GLN65 ARG98 THR100 ALA101 ALA102

T: LYS149 ILE152 THR154 TYR156 TYR157 SER163 GLY164 LYS165 LYS166 THR167 ALA168 LYS169 THR170 ASN171 PHE175 LEU176 ASP178 SER188 GLN190 VAL192 PRO194 ARG196 THR197 VAL198 ASN199 ARG200 LYS201 SER202 THR203 ASP204

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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