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Entry information

Complex
AACDB_ID: 2866
PDBID: 6TXZ
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.06
Reference: 10.1080/2162402X.2020.1744921
Antibody
Antibody: M6903 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Hepatitis A virus cellular receptor 2 (TIM-3)
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6TXZ_H|Chain E[auth H], F[auth I], G[auth J], H[auth K]|Fab H|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISVSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKANWGFFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCAAAHHHHHH

Light Chain: L
Mutation: NULL

>6TXZ_L|Chain I[auth L], J[auth M], K[auth N], L[auth O]|Fab L|Homo sapiens (9606)
QSALTQPRSVSGSPGQSVTISCTGTSSDVGGYNYVSWYQQHPGKAPKLMIYDVSKRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCSSYADSVVFGGGTKVTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>6TXZ_A|Chain A, B, C, D|Hepatitis A virus cellular receptor 2|Homo sapiens (9606)
MSEVEYRAEVGQNAYLPCFYTPAAPGNLVPVCWGKGACPVFECGNVVLRTDERDVNYWTSRYWLNGDFRKGDVSLTIENVTLADSGIYCCRIQIPGIMNDEKFNLKLVIK

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: SER31 ALA33 TRP47 ALA50 SER52 VAL53 SER54 GLY56 SER57 THR58 TYR59 TYR60 ASP62 LYS65 ALA99 ASN100 TRP101 GLY102

L: TYR32 TYR34 ASP52 LYS55 TYR93 ALA94 ASP95 SER96 VAL97

A: PRO50 GLY56 ALA57 CYS58 PRO59 VAL60 PHE61 GLU62 CYS63 GLY64 ASN65 VAL66 ARG69 ASP71 GLU72 ASN76 TYR77 ARG111 GLN113 ILE114 PRO115 GLY116 ILE117 MET118 ASP120 LYS122 ASN124

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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