Details

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Entry information

Complex
AACDB_ID: 6705
PDBID: 3ULV
Chains: DC_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.52
Reference: 10.1016/j.jmb.2012.05.006
Antibody
Antibody: 12 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Toll-like receptor 3 (TLR3)
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>3ULV_D|Chain E[auth D]|Fab12 heavy chain|Homo sapiens (9606)
QVQLQQSGPGLVKPSQTLSLTCAISGDSVSSNSAAWGWIRQSPGRGLEWLGIIQKRSKWYNNYAVSVKSRITINPDTSKNQFSLQLNSVTPEDTAVYYCARYSYPFYSIDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVHHHHHH

Light Chain: C
Mutation: NULL

>3ULV_C|Chain D[auth C]|Fab12 light chain|Homo sapiens (9606)
QSVLTQPPSVSVAPGQTARISCSGDNIGSYYVHWYQQKPGQAPVLVIYEDSERPSGIPERFSGSNSGNTATLTISGTQAEDEADYYCSSYDDPNFQVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>3ULV_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

C: GLY28 SER29 TYR30 TYR31 GLU49 ASP50 ASN65 TYR90 ASP91 ASP92 PRO93 PHE95

D: ASN32 GLN54 ARG56 SER57 LYS58 TYR60 TYR104 PRO105 PHE106 TYR107

A: LYS89 SER115 ASP116 LYS117 ALA120 PHE121 LYS139 ASN140 ASN141 VAL144 LYS145 LYS147 LYS163 THR166 GLN167 VAL168 SER188 GLU189 ASP192 ILE193 ALA195 SER213 PRO214 ALA219

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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