MolNFT v1 · #144718 · protein
Transcriptional repressor, cour, bound to P-coumaroyl-CoA
6C28 · Transcriptional regulator, marr family: “Transcriptional repressor, cour, bound to P-coumaroyl-CoA”. X-ray diffraction, 1 ligand (WCA), 4 pockets (best druggability 0.66). MolNFT v1 #144718 on GenesisL1: 3D structure, binding sites…
- PDB
- 6C28
- Type
- protein
- Length
- 546 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, marr family
- UniProt
- Q6N8V9
- Ligands
- WCA
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 75% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, marr family | protein | 139 | 74% helix, 7% strand | Q6N8V9 |
| B | Transcriptional regulator, marr family | protein | 138 | 75% helix, 6% strand | Q6N8V9 |
| C | Transcriptional regulator, marr family | protein | 135 | 73% helix, 4% strand | Q6N8V9 |
| D | Transcriptional regulator, marr family | protein | 134 | 78% helix, 4% strand | Q6N8V9 |
Ligands and binding sites
- WCA · p-coumaroyl-CoA · ligand · 4 copies · chains A, C, D, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 405 | 0.66 | 0.79 | 58 | WCA |
| 2 | 339 | 0.65 | 0.80 | 51 | WCA |
| 3 | 156 | 0.44 | 0.74 | 18 | empty |
| 4 | 130 | 0.40 | 0.74 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–D · 2740 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 537 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 519 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 45 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 43 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6C28 · Transcriptional repressor, CouR, bound to p-coumaroyl-CoA · 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 Q6N8V9
- Elsewhere: RCSB PDB 6C28 · PDBe 6C28 · UniProt Q6N8V9
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