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Human LAT1-4F2HC complex bound with bch

Analyse Human LAT1-4F2HC complex bound with bch in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6IRT
Type
protein
Length
926 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4F2 cell-surface antigen heavy chain; Large neutral amino acids transporter small subunit…
UniProt
J3KPF3, Q01650
Ligands
3PH, AUU, NAG
Pockets
14 · best druggability 0.76

Structure

electron microscopy · 2 distinct chains · 49% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4F2 cell-surface antigen heavy chainprotein46932% helix, 16% strandJ3KPF3
BLarge neutral amino acids transporter small subunit 1protein45767% helix, 0% strandQ01650

Ligands and binding sites

  • 3PH · 1,2-diacyl-glycerol-3-sn-phosphate · ligand · 2 copies · chains A, B
  • AUU · (1S,2S,4R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid · ligand · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13550.760.8647AUU
21180.680.9135empty
36490.650.7560empty
43280.620.78263PH
53160.600.7838empty

Interfaces

1 interface between chains.

  • A–B · 1468 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6IRT · human LAT1-4F2hc complex bound with BCH · the same entry in another collection · chain A against A, TM-score 1.00
  • Q01650 · AlphaFold monomer V2.0 prediction for large neutral amino acids transporter small subunit… · a predicted model of the same protein · chain B against A, TM-score 0.96

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