Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6649 |
| PDBID: | 3OPZ |
| Chains: | IM_B |
| Organism: | Trypanosoma cruzi, Mus musculus |
| Method: | XRD |
| Resolution (Å): | 3.40 |
| Reference: | 10.1371/journal.ppat.1002474 |
| Antibody | |
| Antibody: | 13G9 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Trans-sialidase (TS) |
| Antigen mutation: | Yes |
| Durg Target: | Q26966 |
Sequence information
Antibody
Heavy Chain: I
Mutation: NULL
| >3OPZ_I|Chain D[auth H], E[auth I], F[auth J]|heavy chain of the Fab fragment of immunoglobulin G|Mus musculus (10090) VKLQQSGVELVRPGTSVKMSCKAVGYTFTYDWIGWVKQRPGHGLEWIGDIYLGGGYINYNEKFKGKVILTADTSSSTAYMQLSSLTSEDSAIYYCARGHYDGSYFDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTSGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTI |
Light Chain: M
Mutation: NULL
| >3OPZ_M|Chain G[auth L], H[auth M], I[auth N]|light chain of the Fab fragment of immunoglobulin G|Mus musculus (10090) DVLMTQTPTIMSASIGEEITLTCSASSSVSHMHWYQHKSGTSPKLLIYITSYLASGVPSRFSGSGSGTFYSLTISSVEAEDAADYYCHQWSTFPSTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC |
Antigen
Chain: B
Mutation: N72F/S276T/R490H/V498L/D509K/V510G/E534K/E572V/D607G/I611D/H613R
| >3OPZ_B|Chain A, B, C|Trans-sialidase|Trypanosoma cruzi (5693) MGGSHHHHHHGMASLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAIADARYETSFDNSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSYWTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGKLIINTRVDYRRRLVYESSDMGNTWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRVMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEINSNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGLVGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYHFANHAFTLVASVTIHEVPKGASPLLGASLDSSGGKKLLGLSYDKRHQWQPIYGSTPVTPTGSWEMGKRYHVVLTMANKIGSVYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSGMPTDSRVTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMD |
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)
| I: TYR31 ASP32 TRP33 TYR52 TYR57 ILE58 ASN59 TYR60 TYR101 ASP102 GLY103 SER104 M: SER28 SER30 HIS31 TYR48 ILE49 TYR52 SER66 GLY67 TRP90 SER91 THR92 PHE93 B: ASN60 VAL91 SER115 SER116 ARG117 SER118 TYR119 THR121 SER122 HIS123 GLY124 ASP125 ARG127 ASP128 ALA165 HIS171 LYS199 LYS200 LYS201 GLN202 TYR248 ARG311 TRP312 |
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)
