Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6823 |
| PDBID: | 4G3Y |
| Chains: | HL_C |
| Organism: | Homo sapiens |
| Method: | XRD |
| Resolution (Å): | 2.60 |
| Reference: | 10.1074/jbc.M112.433961 |
| Antibody | |
| Antibody: | Infliximab Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | Infliximab(Approved) |
| Antigen | |
| Antigen: | Tumor necrosis factor alpha (TNF-α) |
| Antigen mutation: | No |
| Durg Target: | P01375 |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >4G3Y_H|Chain B[auth H]|infliximab Fab H|Homo sapiens (9606) EVKLEESGGGLVQPGGSMKLSCVASGFIFSNHWMNWVRQSPEKGLEWVAEIRSKSINSATHYAESVKGRFTISRDDSKSAVYLQMTDLRTEDTGVYYCSRNYYGSTYDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKT |
Light Chain: L
Mutation: NULL
| >4G3Y_L|Chain A[auth L]|infliximab Fab L|Homo sapiens (9606) DILLTQSPAILSVSPGERVSFSCRASQFVGSSIHWYQQRTNGSPRLLIKYASESMSGIPSRFSGSGSGTDFTLSINTVESEDIADYYCQQSHSWPFTFGSGTNLEVKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: C
Mutation: NULL
| >4G3Y_C|Chain C|Tumor necrosis factor|Homo sapiens (9606) VRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL |
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)
| L: PHE28 GLY30 SER31 SER32 LYS49 TYR50 GLU53 SER91 HIS92 SER93 TRP94 PHE96 H: PHE27 ILE28 ASN31 HIS32 TRP33 ARG52 SER53 SER55 ILE56 HIS61 TYR62 GLU64 LYS67 ARG100 TYR102 TYR103 GLY104 SER105 C: GLU23 GLY24 GLN25 GLN67 GLY68 PRO70 SER71 HIS73 VAL74 LEU75 THR77 ILE97 GLU104 THR105 GLU107 GLY108 ALA109 GLU110 ALA111 ASN137 ARG138 PRO139 ASP140 TYR141 |
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)
