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Entry information

Complex
AACDB_ID: 4841
PDBID: 7S7I
Chains: IM_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.40
Reference: 10.1021/acs.analchem.2c03091
Antibody
Antibody: 7S7I Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human MHC class I chain-related protein A
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>7S7I_I|Chain B[auth H], E[auth I], H[auth J], K[auth U], N[auth W], Q[auth Y]|Fab heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFSTYSMNWVRQAPGKGLEWVSYISYRSRTIYYADSVKGRFTISRDNARNSLYLQMNSLRDEDTAVYYCARWGYGSGGFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCGGHHHHHH

Light Chain: M
Mutation: NULL

>7S7I_M|Chain C[auth L], F[auth M], I[auth N], L[auth V], O[auth X], R[auth Z]|Fab light chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSFTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: NULL

>7S7I_B|Chain A, D[auth B], G[auth C], J[auth D], M[auth E], P[auth F]|MHC class I chain-related protein A|Homo sapiens (9606)
GSTVPPMVNVTRSEASEGNITVTCRASSFYPRNIILTWRQDGVSLSHDTQQWGDVLPDGNGTYQTWVATRICRGEEQRFTCYMEHSGNHSTHPVPSGHHHHHH

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: THR32 TYR33 SER34 TYR51 SER53 TYR54 ARG55 ARG57 THR58 ILE59 TYR60 TRP100 GLY101 TYR102 GLY103 SER104 GLY105

M: SER28 SER30 SER32 TYR33 TYR92 GLY93 PHE96

B: ARG240 GLN241 ASP242 GLY243 VAL244 SER245 LEU246 SER247 THR250 THR270 ARG271 ILE272 CYS273 GLU276 GLN278 ARG279 PHE280 TYR283 GLU285 GLY288 HIS290 THR292

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)

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