MolNFT v1 · #73226 · protein
Modulating heme redox potential through protein-induced porphyrin distortion
3NVR · Methyl-accepting chemotaxis protein: “Modulating heme redox potential through protein-induced porphyrin distortion”. X-ray diffraction, 3 ligands (HEM, OXY, CL), 6 pockets (best druggability 0.84). MolNFT v1 #73226 on GenesisL1: 3D…
- PDB
- 3NVR
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- Q8RBX6
- Ligands
- HEM, OXY, CL
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis protein | protein | 180 | 51% helix, 19% strand | Q8RBX6 |
| B | Methyl-accepting chemotaxis protein | protein | 178 | 51% helix, 21% strand | Q8RBX6 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- OXY · Oxygen molecule · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 312 | 0.84 | 0.93 | 37 | HEM, OXY |
| 2 | 533 | 0.82 | 0.87 | 59 | HEM, OXY |
| 3 | 202 | 0.50 | 0.76 | 22 | empty |
| 4 | 90 | 0.37 | 0.75 | 16 | CL |
| 5 | 64 | 0.34 | 0.76 | 15 | CL |
Interfaces
1 interface between chains.
- A–B · 615 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3NVR · Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion · 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 Q8RBX6
- Elsewhere: RCSB PDB 3NVR · PDBe 3NVR · UniProt Q8RBX6
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