Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 3431 |
| PDBID: | 7C4S |
| Chains: | JK_B |
| Organism: | Mus musculus, Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 3.20 |
| Reference: | 10.1126/sciadv.abf5325 |
| Antibody | |
| Antibody: | AS55 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Sphingosine 1-phosphate receptor 3 |
| Antigen mutation: | No |
| Durg Target: | Q99500 |
Sequence information
Antibody
Heavy Chain: J
Mutation: NULL
| >7C4S_J|Chain B[auth H], E[auth J]|Antibody Fab fragment heavy chain|Mus musculus (10090) DVQLQQSGAELVRPGASVKLSCKASGYTFTDYEMHWVKQTPVHGLEWIGAIDPETGGTAYSQKFKGKATKTADKSSSTAYMELRSLTSEDSAVYYCTIPYYSNLRFAYWGQGTLVTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKGYFPESVTVTWNSGSLSSSVHTFPALLQSGLYTMSSSVTVPSSTWPSQTVTCSVAHPASSTTVDKKLEPS |
Light Chain: K
Mutation: NULL
| >7C4S_K|Chain A[auth K], D[auth L]|Antibody Fab fragment light chain|Mus musculus (10090) DIVMTQSPKSMSMSVGERVTLSCKASENVGIFVSWYQQKPEQSPKLLIYGASNRYTGVPDRFTGSGSATDFTLTLSSVQAEDLADYYCGQSYNYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC |
Antigen
Chain: B
Mutation: NULL
| >7C4S_B|Chain C[auth A], F[auth B]|Sphingosine 1-phosphate receptor 3|Homo sapiens (9606) MATALPPRLQPVRGQETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN |
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)
| K: GLY30 ILE31 PHE32 TYR49 ALA51 ASN53 ARG54 TYR55 THR56 TYR92 ASN93 TYR94 J: THR30 ASP31 TYR32 GLU33 ALA50 ILE51 ASP52 GLU54 GLY57 THR58 ALA59 PRO99 TYR101 SER102 ASN103 LEU104 ARG105 B: GLU20 GLN23 TYR24 GLY26 ALA29 GLY30 ARG31 LEU32 LYS33 GLU34 SER36 LEU182 PRO183 ARG270 VAL271 GLN272 ALA273 PRO275 PHE278 |
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)
