MolNFT v2 · #223453 · protein
SthK R120A R124A in the presence of PIP2 and cAMP
8VTB · Transcriptional regulator, Crp/Fnr family: “SthK R120A R124A in the presence of PIP2 and cAMP”. Electron microscopy at 2.5, 2 ligands (PCW, CMP), 20 pockets (best druggability 0.75). MolNFT v2 #223453 on GenesisL1: 3D structure…
- PDB
- 8VTB
- Type
- protein
- Length
- 1,600 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.5
- Source
- Spirochaeta thermophila
- Molecule
- Transcriptional regulator, Crp/Fnr family
- UniProt
- G0GA88
- Ligands
- PCW, CMP
- Pockets
- 20 · best druggability 0.75
Structure
electron microscopy · resolution 2.5 · 1 distinct chain · 62% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Transcriptional regulator, Crp/Fnr family | protein | 400 | 62% helix, 9% strand | G0GA88 |
Ligands and binding sites
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 24 copies · chains A, D, B, C
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 580 | 0.75 | 0.82 | 68 | empty |
| 2 | 486 | 0.70 | 0.80 | 48 | empty |
| 3 | 534 | 0.68 | 0.78 | 54 | empty |
| 4 | 443 | 0.68 | 0.80 | 39 | empty |
| 5 | 426 | 0.68 | 0.80 | 37 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2512 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 2501 Ų buried · 29 hydrogen bonds · protein-protein
- B–C · 2500 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 2486 Ų buried · 29 hydrogen bonds · protein-protein
- A–C · 55 Ų buried · 0 hydrogen bonds · protein-protein
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 G0GA88
- Elsewhere: RCSB PDB 8VTB · PDBe 8VTB · UniProt G0GA88
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