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Entry information

Complex
AACDB_ID: 4753
PDBID: 7RE7
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.55
Reference: 10.1038/s41598-022-15946-5
Antibody
Antibody: TCR mimic antibody Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: alpha fetoprotein (AFP)/HLA-A*02
Antigen mutation: No
Durg Target: P04439

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>7RE7_H|Chain A[auth H], C[auth I]|Fab heavy chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGESLTISCKASGYSFPNYWITWVRQMSGGGLEWMGRIDPGDSYTTYNPSFQGHVTISIDKSTNTAYLHWNSLKASDTAMYYCARYYVSLVDIWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>7RE7_L|Chain B[auth J], D[auth L]|Fab light chain|Homo sapiens (9606)
QSVLTQPASVSGSPGQSITISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVNNRPSEVSNRFSGSKSGNTASLTISGLQAEDEADYYCSSYTTGSRAVFGGGTKLTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>7RE7_A|Chain E[auth A], G[auth D]|MHC class I antigen|Homo sapiens (9606)
GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEPGSGGGLNDIFEAQKIGWHE

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)

H: TYR27 SER28 PHE29 PRO30 ASN31 ARG50 ASP55 TYR57 THR59 TYR100 VAL101 SER102 LEU103

L: SER26 GLY31 TYR32 ASN33 TYR34 TYR51 ASP52 TYR93 THR95 ARG98

A: GLU55 GLY56 GLU58 TYR59 ASP61 GLY62 GLU63 ARG65 LYS66 LYS68 ALA69 GLN72 THR73 ARG75 VAL76 LYS146 ALA150 HIS151 GLU154 GLN155 ALA158 THR163 TRP167 ARG170

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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