MolNFT v1 · #158999 · protein
Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6- thioinosine bound, merohedrally twinned
6OB6 · Equilibrative nucleoside transporter 1: “Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6- thioinosine bound, merohedrally twinned”. X-ray diffraction, 1 ligand (NBM), 4 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 6OB6
- Type
- protein
- Length
- 722 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Equilibrative nucleoside transporter 1
- UniProt
- Q99808
- Ligands
- NBM
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 81% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Equilibrative nucleoside transporter 1 | protein | 365 | 82% helix, 1% strand | Q99808 |
| B | Equilibrative nucleoside transporter 1 | protein | 357 | 81% helix, 1% strand | Q99808 |
Ligands and binding sites
- NBM · 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.81 | 0.85 | 58 | NBM |
| 2 | 759 | 0.81 | 0.84 | 71 | NBM |
| 3 | 1100 | 0.76 | 0.78 | 81 | empty |
| 4 | 67 | 0.35 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 308 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6OB6 · Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6-thioinosine bound… · the same entry in another collection · chain A against A, TM-score 1.00
- Q99808 · AlphaFold monomer V2.0 prediction for equilibrative nucleoside transporter 1 (Q99808) · a predicted model of the same protein · chain B 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
- Every structure of UniProt Q99808
- Elsewhere: RCSB PDB 6OB6 · PDBe 6OB6 · UniProt Q99808
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