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MolNFT v1 · #169112 · protein

Outward-facing state of the glutamate transporter homologue gltph in complex with tboa

6X17: “Outward-facing state of the glutamate transporter homologue gltph in complex with tboa”. Electron microscopy, 1 ligand (6OU), 13 pockets (best druggability 0.88). MolNFT v1 #169112 on GenesisL1: 3D structure, binding sites and…

PDB
6X17
Type
protein
Length
1,245 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate transporter homologue gltph
Ligands
6OU
Pockets
13 · best druggability 0.88

Structure

electron microscopy · 1 distinct chain · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CGlutamate transporter homologue gltphprotein41575% helix, 0% strand—

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 3 copies · chains A, B, C

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16770.880.9142empty
24090.600.7649empty
33700.600.7746empty
43800.600.7641empty
54310.590.74386OU

Interfaces

3 interfaces between chains.

  • B–C · 1121 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 1106 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 1099 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6X17 · Outward-facing state of the glutamate transporter homologue GltPh in complex with TBOA · the same entry in another collection · chain A against A, TM-score 1.00

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