MolNFT v1 · #169111 · protein
Inward-facing state of the glutamate transporter homologue gltph in complex with tboa
6X16: “Inward-facing state of the glutamate transporter homologue gltph in complex with tboa”. Electron microscopy, 2 ligands (6OU, TB1), 20 pockets (best druggability 0.88). MolNFT v1 #169111 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6X16
- Type
- protein
- Length
- 1,248 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate transporter homologue gltph
- Ligands
- 6OU, TB1
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 1 distinct chain · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C | Glutamate transporter homologue gltph | protein | 416 | 73% 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 B, C, A
- TB1 · (3S)-3-(benzyloxy)-L-aspartic acid · ligand · 3 copies · chains B, A, 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, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.88 | 0.92 | 44 | empty |
| 2 | 88 | 0.76 | 0.98 | 24 | TB1 |
| 3 | 83 | 0.76 | 0.98 | 24 | TB1 |
| 4 | 77 | 0.74 | 0.98 | 24 | TB1 |
| 5 | 243 | 0.58 | 0.79 | 38 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1174 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1159 Ų buried · 8 hydrogen bonds · protein-protein
- B–A · 1158 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6X16 · Inward-facing state of the glutamate transporter homologue GltPh in complex with TBOA · the same entry in another collection · chain B against B, 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 6X16 · PDBe 6X16
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