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MolNFT v1 · #171775 · protein

Glutamate transporter homologue glttk in complex with a photo cage compound

6ZGB · PROTON/GLUTAMATE symporter, sdf family: “Glutamate transporter homologue glttk in complex with a photo cage compound”. X-ray diffraction, 1 ligand (QJW), 17 pockets (best druggability 0.88). MolNFT v1 #171775 on GenesisL1: 3D…

PDB
6ZGB
Type
protein
Length
1,271 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PROTON/GLUTAMATE symporter, sdf family
UniProt
Q5JID0
Ligands
QJW
Pockets
17 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APROTON/GLUTAMATE symporter, sdf familyprotein42578% helix, 0% strandQ5JID0
B, CPROTON/GLUTAMATE symporter, sdf familyprotein42378% helix, 0% strandQ5JID0

Ligands and binding sites

  • QJW · (2~{S},3~{S})-2-azanyl-3-[(2-nitrophenyl) methoxy]butanedioic acid · ligand · 3 copies · chains A, B, C
  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B, C
  • PGE · Triethylene glycol · additive · chains C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16360.880.9253PEG
24810.630.7655QJW
33930.620.7744QJW
44490.600.7554QJW
53200.560.7542empty

Interfaces

3 interfaces between chains.

  • B–C · 1200 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 1195 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1149 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6ZGB · glutamate transporter homologue Glttk in complex with a photo cage compound · the same entry in another collection · chain A against A, TM-score 1.00

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