MolNFT v1 · #143822 · protein
Crystal structure of gltph R397C in complex with S-benzyl-L-cysteine
6BAV · Glutamate transporter homolog: “Crystal structure of gltph R397C in complex with S-benzyl-L-cysteine”. X-ray diffraction, 2 ligands (BCS, NA), 17 pockets (best druggability 0.88). MolNFT v1 #143822 on GenesisL1: 3D structure…
- PDB
- 6BAV
- Type
- protein
- Length
- 1,227 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate transporter homolog
- UniProt
- O59010
- Ligands
- BCS, NA
- Pockets
- 17 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutamate transporter homolog | protein | 409 | 76% helix, 0% strand | O59010 |
Ligands and binding sites
- BCS · Benzylcysteine · ligand · 3 copies · chains A, B, C
- NA · Sodium ion · metal · 3 copies · chains A, B, 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 604 | 0.88 | 0.93 | 45 | empty |
| 2 | 430 | 0.63 | 0.77 | 50 | BCS |
| 3 | 384 | 0.61 | 0.77 | 46 | BCS |
| 4 | 365 | 0.60 | 0.77 | 47 | BCS |
| 5 | 280 | 0.53 | 0.74 | 34 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1108 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1091 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1088 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6BAV · Crystal Structure of GltPh R397C in complex with S-Benzyl-L-Cysteine · the same entry in another collection · chain B against B, TM-score 1.00
- O59010 · AlphaFold monomer V2.0 prediction for glutamate transporter homolog (O59010) · a predicted model of the same protein · chain C against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O59010
- Elsewhere: RCSB PDB 6BAV · PDBe 6BAV · UniProt O59010
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.