MolNFT v1 · #167661 · protein
Cryo-EM structure of the wild-type human serotonin transporter complexed with br-paroxetine and 8B6 Fab
6VRK · Sodium-dependent serotonin transporter: “Cryo-EM structure of the wild-type human serotonin transporter complexed with br-paroxetine and 8B6 Fab”. Electron microscopy, 2 ligands (RFS, NAG), 9 pockets (best druggability 0.81). MolNFT…
- PDB
- 6VRK
- Type
- protein
- Length
- 764 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sodium-dependent serotonin transporter; 8B6 antibody, light chain; 8B6 antibody, heavy…
- UniProt
- P31645, A0A0U5BC76
- Ligands
- RFS, NAG
- Pockets
- 9 · best druggability 0.81
Structure
electron microscopy · 3 distinct chains · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sodium-dependent serotonin transporter | protein | 541 | 67% helix, 1% strand | P31645 |
| C | 8B6 antibody, light chain | protein | 106 | 0% helix, 38% strand | A0A0U5BC76 |
| B | 8B6 antibody, heavy chain | protein | 117 | 5% helix, 29% strand | — |
Ligands and binding sites
- RFS · Br-paroxetine · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, C
- LMT · Dodecyl-beta-D-maltoside · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 724 | 0.81 | 0.85 | 68 | LMT, RFS |
| 2 | 952 | 0.76 | 0.79 | 80 | empty |
| 3 | 50 | 0.70 | 0.98 | 17 | empty |
| 4 | 164 | 0.47 | 0.76 | 27 | empty |
| 5 | 129 | 0.42 | 0.76 | 23 | empty |
Interfaces
3 interfaces between chains.
- C–B · 963 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 537 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 534 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6VRK · Cryo-EM structure of the wild-type human serotonin transporter complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P31645 · AlphaFold monomer V2.0 prediction for sodium-dependent serotonin transporter (P31645) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P31645
- Every structure of UniProt A0A0U5BC76
- Elsewhere: RCSB PDB 6VRK · PDBe 6VRK · UniProt P31645 · UniProt A0A0U5BC76
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