MolNFT v1 · #76418 · protein
Crystal structure of escherichia COLI phnd
3QK6 · Phnd, subunit of alkylphosphonate ABC transporter: “Crystal structure of escherichia COLI phnd”. X-ray diffraction, 1 ligand (UNL), 7 pockets (best druggability 0.69). MolNFT v1 #76418 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3QK6
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phnd, subunit of alkylphosphonate ABC transporter
- UniProt
- Q1R3F7
- Ligands
- UNL
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phnd, subunit of alkylphosphonate ABC transporter | protein | 304 | 52% helix, 19% strand | Q1R3F7 |
| B | Phnd, subunit of alkylphosphonate ABC transporter | protein | 308 | 52% helix, 19% strand | Q1R3F7 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.69 | 0.87 | 41 | UNL |
| 2 | 150 | 0.68 | 0.88 | 32 | empty |
| 3 | 162 | 0.63 | 0.85 | 40 | UNL |
| 4 | 104 | 0.58 | 0.86 | 25 | empty |
| 5 | 303 | 0.55 | 0.75 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 1799 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3QK6 · Crystal structure of Escherichia coli PhnD · 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 Q1R3F7
- Elsewhere: RCSB PDB 3QK6 · PDBe 3QK6 · UniProt Q1R3F7
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