MolNFT v1 · #169109 · protein
Inward-facing state of the glutamate transporter homologue gltph in complex with tfb-tboa
6X14: “Inward-facing state of the glutamate transporter homologue gltph in complex with tfb-tboa”. Electron microscopy, 2 ligands (6OU, 7O9), 20 pockets (best druggability 0.88). MolNFT v1 #169109 on GenesisL1: 3D structure, binding sites…
- PDB
- 6X14
- Type
- protein
- Length
- 1,239 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate transporter homologue gltph
- Ligands
- 6OU, 7O9
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 1 distinct chain · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutamate transporter homologue gltph | protein | 413 | 75% 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 · 6 copies · chains A, B, C
- 7O9 · (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl) phenyl]carbonylamino]phenyl]methoxy]butanedioic acid · ligand · 3 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.88 | 0.91 | 37 | empty |
| 2 | 502 | 0.73 | 0.81 | 41 | 7O9 |
| 3 | 505 | 0.73 | 0.81 | 43 | 7O9 |
| 4 | 514 | 0.72 | 0.81 | 41 | 7O9 |
| 5 | 299 | 0.59 | 0.78 | 47 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1086 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1084 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1077 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6X14 · Inward-facing state of the glutamate transporter homologue GltPh in complex with TFB-TBOA · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6X14 · PDBe 6X14
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