MolNFT v1 · #9425 · protein + DNA
Fadr-DNA complex: transcriptional control of fatty acid metabolism in echerichia COLI
1HW2 · 5'- D(*CP*GP*AP*TP*CP*TP*GP*GP*TP*CP*CP*GP*AP*CP*CP*AP*GP*AP…: “Fadr-DNA complex: transcriptional control of fatty acid metabolism in echerichia COLI”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.66). MolNFT v1…
- PDB
- 1HW2
- Type
- protein + DNA
- Length
- 482 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'- D(*CP*GP*AP*TP*CP*TP*GP*GP*TP*CP*CP*GP*AP*CP*CP*AP*GP*AP*TP *GP*CP*T)-3'; 5'…
- UniProt
- P0A8V6
- Ligands
- MG
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 73% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | 5'- D(*CP*GP*AP*TP*CP*TP*GP*GP*TP*CP*CP*GP*AP*CP*CP*AP*GP*AP*TP *GP*CP*T)-3' | dna | 20 | — | — |
| E | 5'- D(*G*CP*AP*TP*CP*TP*GP*GP*TP*CP*GP*GP*AP*CP*CP*AP*GP*AP*TP* CP*GP*A)-3' | dna | 18 | — | — |
| A, B | Fatty acid metabolism regulator protein | protein | 222 | 73% helix, 5% strand | P0A8V6 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains E, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.66 | 0.76 | 81 | empty |
| 2 | 156 | 0.44 | 0.75 | 17 | empty |
| 3 | 77 | 0.40 | 0.79 | 20 | empty |
| 4 | 99 | 0.37 | 0.75 | 20 | empty |
| 5 | 52 | 0.35 | 0.78 | 12 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1689 Ų buried · 26 hydrogen bonds · protein-protein
- D–E · 814 Ų buried · 76 hydrogen bonds · nucleic-nucleic
- D–B · 490 Ų buried · 11 hydrogen bonds · protein-nucleic
- E–A · 485 Ų buried · 13 hydrogen bonds · protein-nucleic
- E–B · 461 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 1HW2 · Fadr-DNA complex: transcriptional control of fatty acid metabolism in echerichia COLI · the same entry in another collection · chain B against B, TM-score 1.00
- P0A8V6 · AlphaFold monomer V2.0 prediction for fatty acid metabolism regulator protein (P0A8V6) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P0A8V6
- Elsewhere: RCSB PDB 1HW2 · PDBe 1HW2 · UniProt P0A8V6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.