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MolNFT v1 · #117058 · protein

Crystal structure of a substrate-free glutamate transporter homologue glttk

5DWY · PROTON/GLUTAMATE symporter, sdf family: “Crystal structure of a substrate-free glutamate transporter homologue glttk”. X-ray diffraction, 20 pockets (best druggability 0.88). MolNFT v1 #117058 on GenesisL1: 3D structure, binding…

PDB
5DWY
Type
protein
Length
1,281 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PROTON/GLUTAMATE symporter, sdf family
UniProt
Q5JID0
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 3 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APROTON/GLUTAMATE symporter, sdf familyprotein42678% helix, 0% strandQ5JID0
BPROTON/GLUTAMATE symporter, sdf familyprotein42878% helix, 0% strandQ5JID0
CPROTON/GLUTAMATE symporter, sdf familyprotein42778% helix, 0% strandQ5JID0

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · 23 copies · chains A, B, C
  • PGE · Triethylene glycol · additive · 11 copies · chains A, B, C
  • BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B, C

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15420.880.9346empty
2640.660.9317empty
35590.630.7472PEG, PGE
41980.620.8229empty
55360.620.7471PGE

Interfaces

3 interfaces between chains.

  • B–C · 1192 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 1186 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1155 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 5DWY · Crystal structure of a substrate-free glutamate transporter homologue GltTk · the same entry in another collection · chain A against A, TM-score 1.00

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