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Cryo-EM structure of bovine ntcp complexed with YN69202FAB

Analyse Cryo-EM structure of bovine ntcp complexed with YN69202FAB in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7VAE
Type
protein
Length
736 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Solute carrier family 10 (SODIUM/BILE acid cotransporter family), member 1; Fab heavy…
UniProt
Q2KJ85
Pockets
12 · best druggability 0.74

Structure

electron microscopy · 3 distinct chains · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASolute carrier family 10 (SODIUM/BILE acid cotransporter family), member 1protein29977% helix, 0% strandQ2KJ85
HFab heavy chain from antibody IgG clone number YN69202protein2213% helix, 48% strand—
LFab light chain from antibody IgG clone number YN69202protein2165% helix, 42% strand—

Pockets

12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19100.740.7860empty
23910.580.7551empty
31770.580.8134empty
41630.570.8117empty
5700.490.8422empty

Interfaces

3 interfaces between chains.

  • H–L · 1752 Ų buried · 7 hydrogen bonds · protein-protein
  • A–H · 588 Ų buried · 9 hydrogen bonds · protein-protein
  • A–L · 369 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7VAE · Cryo-EM structure of bovine NTCP complexed with YN69202Fab · the same entry in another collection · chain A against A, TM-score 1.00

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