Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6260 |
| PDBID: | 8GNG |
| Chains: | ZY_X |
| Organism: | Homo sapiens, Mus musculus |
| Method: | XRD |
| Resolution (Å): | 3.20 |
| Reference: | 10.1124/molpharm.122.000633 |
| Antibody | |
| Antibody: | KW-6356 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Human adenosine receptor A2a |
| Antigen mutation: | Yes |
| Durg Target: | P29274 |
Sequence information
Antibody
Heavy Chain: Z
Mutation: NULL
| >8GNG_Z|Chain C[auth H], F[auth Z]|antibody fab fragment heavy chain|Mus musculus (10090) EVQLQQSGAELVKPGSSVKISCKTSGDSFTAYNMNWVKQSHGKSLEWIGNINPYYGSTRYNQKFKGKATLTVDKSSSTAYIQLNSLTSEDSAVYYCAREGNYYDGGSVRYFDYWGQGTTLTVSSAKTTAPSVYPLAPVCGDTSGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGP |
Light Chain: Y
Mutation: NULL
| >8GNG_Y|Chain B[auth L], E[auth Y]|antibody fab fragment light chain|Mus musculus (10090) DIVMTQSPASLSASVGDTVTITCRASEFIYSSLTWYQQKQGGSPQLLVYAATNLADAVPSRFSGSGSGTQFSLKINRLQPEDFGTYYCQHFYGSTWAFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC |
Antigen
Chain: X
Mutation: A61L/T95A/K129A/N161Q/V246A
| >8GNG_X|Chain A, D[auth X]|Adenosine receptor A2a|Homo sapiens (9606) DYDDDDKMPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKQHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAHHHHHHHHHH |
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)
| Y: PHE28 TYR30 SER31 SER32 TYR49 ALA50 THR52 ASN53 ASP56 ALA57 SER67 THR69 PHE91 TYR92 GLY93 Z: ASP27 SER28 THR30 ALA31 TYR32 ASN52 TYR54 TYR55 ASN101 TYR102 TYR103 ASP104 GLY105 GLY106 SER107 ARG109 TYR110 X: LEU33 ASN34 SER35 ASN36 LEU37 GLN38 ASN39 THR41 ASN42 ARG102 PRO109 LEU110 ARG111 ASN113 GLY114 LEU115 THR117 ARG120 ALA221 ARG222 SER223 THR224 LYS227 GLU228 ALA231 LEU235 ILE292 ARG293 GLU294 PHE295 GLN297 THR298 LYS301 ARG304 GLU312 |
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)
