MolNFT v1 · #85073 · protein
Structure of the global transcription regulator fapr from staphylococcus aureus in complex with malonyl-CoA
4A0Z · Transcription factor fapr: “Structure of the global transcription regulator fapr from staphylococcus aureus in complex with malonyl-CoA”. X-ray diffraction, 1 ligand (MLC), 5 pockets (best druggability 0.64). MolNFT v1 #85073 on…
- PDB
- 4A0Z
- Type
- protein
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription factor fapr
- UniProt
- D6UB50
- Ligands
- MLC
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription factor fapr | protein | 183 | 38% helix, 34% strand | D6UB50 |
| B | Transcription factor fapr | protein | 138 | 24% helix, 45% strand | D6UB50 |
Ligands and binding sites
- MLC · Malonyl-coenzyme A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 112 | 0.64 | 0.88 | 21 | MLC |
| 2 | 103 | 0.61 | 0.87 | 19 | MLC |
| 3 | 67 | 0.41 | 0.80 | 16 | empty |
| 4 | 112 | 0.38 | 0.74 | 16 | empty |
| 5 | 58 | 0.34 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1151 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4A0Z · Structure of the global transcription regulator FapR from Staphylococcus aureus in… · 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 D6UB50
- Elsewhere: RCSB PDB 4A0Z · PDBe 4A0Z · UniProt D6UB50
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