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Entry information

Complex
AACDB_ID: 7471
PDBID: 6ID4
Chains: HL_A
Organism: Homo sapiens, Human immunodeficiency virus 1
Method: XRD
Resolution (Å): 2.40
Reference: 10.1038/s41467-019-08790-1
Antibody
Antibody: 2E3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human leukocyte antigen allele HLA-A*11:01
Antigen mutation: No
Durg Target: P04439

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6ID4_H|Chain C, G[auth H]|Heavy chain|Homo sapiens (9606)
EVQLVQSGAEVKKPGASVKVSCKASGYTFTGYYMHWVRQAPGQGLEWMGWINPNSGGTSYAQKFQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARVTTVIAGPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: L
Mutation: NULL

>6ID4_L|Chain D, H[auth L]|Light chain|Homo sapiens (9606)
QAVLTQPSSLSASPGASASLTCTLRSGINVGPYNIYWYQQKPGSPPQYLMRYKSDPDKHQGSAVPSRFSGSKDASANAGILLISGLQSEDEADYYCMIWHNNAWVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>6ID4_A|Chain A, E|MHC class I antigen|Homo sapiens (9606)
MGSHSMRYFYTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHAAEQQRAYLEGRCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWE

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: TYR33 HIS35 TRP50 ASN52 ASN54 SER55 ARG72 VAL99 THR100 THR101 ILE103 ALA104 GLY105 PRO106 VAL107

L: PRO32 TYR33 ASN34 TYR36 LYS53 TRP99 ASN101 ASN102 TRP104

A: VAL12 ARG14 PRO15 GLY16 ARG17 GLY18 GLU19 SER38 ASP39 ALA40 ALA41 GLN43 SER88 GLU89 ASP90 GLY91 SER92

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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