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Entry information

Complex
AACDB_ID: 174
PDBID: 1UJ3
Chains: BA_C
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.10
Reference: 10.1107/s0909049503023513
Antibody
Antibody: hATR-5 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Tissue factor (TF)
Antigen mutation: No
Durg Target: P13726

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>1UJ3_B|Chain B|IgG Fab heavy chain|Homo sapiens (9606)
QVQLLESGAVLARPGTSVKISCKASGFNIKDYYMHWVKQRPGQGLEWIGGNDPANGHSMYDPKFQGRVTITADTSTSTVFMELSSLRSEDTAVYYCARDSGYAMDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVES

Light Chain: A
Mutation: NULL

>1UJ3_A|Chain A|IgG Fab light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCKASQDIKSFLSWYQQKPEKAPKSLIYYATSLADGVPSRFSGSGSGTDYTLTISSLQPEDFATYYCLQHGESPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECT

Antigen

Chain: C
Mutation: NULL

>1UJ3_C|Chain C|tissue factor|Homo sapiens (9606)
TVAAYNLTWKSTNFKTILEWEPKPVNQVYTVQISTKSGDWKSKCFYTTDTECDLTDEIVKDVKQTYLARVFSYPAGNVESTGSAGEPLYENSPEFTPYLETNLGQPTIQSFEQVGTKVNVTVEDERTLVRRNNTFLSLRDVFGKDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDKGENYCFSVQAVIPSRTVNRKSTDSPVECM

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)

A: ASP1 GLN27 LYS30 PHE32 TYR50 HIS91 GLY92 GLU93 SER94 PRO95 TYR96

B: PHE327 ASN328 LYS330 ASP331 TYR332 TYR333 HIS335 ASP352 ALA354 ASN355 HIS357 SER358 MET359 TYR360 GLN365 ARG398 ASP399 SER400 GLY401 TYR402

C: LYS722 LYS749 ILE752 THR754 TYR756 TYR757 TRP758 GLY764 LYS765 LYS766 THR767 ALA768 LYS769 THR770 ASN771 GLU774 LEU776 ILE777 ASP778 SER788 GLN790 VAL792 PRO794 ARG796 THR797 VAL798 ASN799 ARG800 LYS801 ASP804 VAL807

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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