MolNFT v1 · #69289 · protein
Pentameric formate channel
3KLY · Putative formate transporter 1: “Pentameric formate channel”. X-ray diffraction, 18 pockets (best druggability 0.79). MolNFT v1 #69289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3KLY
- Type
- protein
- Length
- 1,279 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative formate transporter 1
- UniProt
- Q9KRE7
- Pockets
- 18 · best druggability 0.79
Structure
x-ray diffraction · 5 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative formate transporter 1 | protein | 257 | 75% helix, 0% strand | Q9KRE7 |
| B | Putative formate transporter 1 | protein | 255 | 78% helix, 0% strand | Q9KRE7 |
| C | Putative formate transporter 1 | protein | 259 | 74% helix, 0% strand | Q9KRE7 |
| D | Putative formate transporter 1 | protein | 252 | 79% helix, 0% strand | Q9KRE7 |
| E | Putative formate transporter 1 | protein | 256 | 82% helix, 0% strand | Q9KRE7 |
Ligands and binding sites
- BOG · octyl beta-D-glucopyranoside · additive · 16 copies · chains A, B, E, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1015 | 0.79 | 0.80 | 80 | BOG |
| 2 | 451 | 0.71 | 0.81 | 34 | BOG |
| 3 | 381 | 0.67 | 0.80 | 33 | BOG |
| 4 | 185 | 0.67 | 0.85 | 27 | empty |
| 5 | 306 | 0.66 | 0.81 | 41 | empty |
Interfaces
5 interfaces between chains.
- A–E · 1703 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1669 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 1657 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 1655 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1632 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3KLY · Pentameric formate channel · 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
- Every structure of UniProt Q9KRE7
- Elsewhere: RCSB PDB 3KLY · PDBe 3KLY · UniProt Q9KRE7
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