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Entry information

Complex
AACDB_ID: 670
PDBID: 3ULU
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.52
Reference: 10.1016/j.jmb.2012.05.006
Antibody
Antibody: 15 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Toll-like receptor 3
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3ULU_H|Chain C[auth H]|Fab15 heavy chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGESLKISCKGSGYSFTNYWVGWVRQMPGKGLEWMGFIDPSDSYTNYAPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARELYQGYMDTFDSWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHHHH

Light Chain: L
Mutation: NULL

>3ULU_L|Chain B[auth L]|Fab15 light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQSIGLYLAWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQGNTLSYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>3ULU_A|Chain A|Toll-like receptor 3|Homo sapiens (9606)
ADLGSASSTTKCTVSHEVADCSHLKLTQVPDDLPTNITVLNLTHNQLRRLPAANFTRYSQLTSLDVGFNTISKLEPELCQKLPMLKVLNLQHNELSQLSDKTFAFCTNLTELHLMSNSIQKIKNNPFVKQKNLITLDLSHNGLSSTKLGTQVQLENLQELLLSNNKIQALKSEELDIFANSSLKKLELSSNQIKEFSPGCFHAIGRLFGLFLNNVQLGPSLTEKLCLELANTSIRNLSLSNSQLSTTSNTTFLGLKWTNLTMLDLSYNNLNVVGNDSFAWLPQLEYFFLEYNNIQHLFSHSLHGLFNVRYLNLKRSFTKQSISLASLPKIDDFSFQWLKCLEHLNMEDNDIPGIKSNMFTGLINLKYLSLSNSFTSLRTLTNETFVSLAHSPLHILNLTKNKISKIESDAFSWLGHLEVLDLGLNEIGQELTGQEWRGLENIFEIYLSYNKYLQLTRNSFALVPSLQRLMLRRVALKNVDSSPSPFQPLRNLTILDLSNNNIANINDDMLEGLEKLEILDLQHNNLARLWKHANPGGPIYFLKGLSHLHILNLESNGFDEIPVEVFKDLFELKIIDLGLNNLNTLPASVFNNQVSLKSLNLQKNLITSVEKKVFGPAFRNLTELDMRFNPFDCTCESIAWFVNWINETHTNIPELSSHYLCNTPPHYHGFPVRLFDTSSCKDSAPFASHHHHHH

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

L: ASP1 ILE2 SER26 GLN27 TYR32 GLY91 ASN92 THR93 LEU94 SER95

H: ASN31 TYR32 TRP33 ASP52 ASP55 TYR57 ASN59 TYR60 PRO62 GLN65 GLU99 TYR101 GLN102 GLY103 TYR104 MET105 ASP106

A: ASN388 LYS416 LYS418 LEU440 ASN441 GLU442 TYR465 ASN466 LYS467 TYR468 GLN470 ARG488 ARG489 ALA491 LEU492 LYS493 ASN515 ASN516 ASN517 ALA519 HIS539 ASN540 ASN541 ARG544 SER571 GLY573 LEU595 LYS619

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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