MolNFT v1 · #145737 · protein
Cs H-nox mutant with unnatural amino acid 4-cyano-L-phenylalanine at site 5
6CWW · Methyl-accepting chemotaxis protein: “Cs H-nox mutant with unnatural amino acid 4-cyano-L-phenylalanine at site 5”. X-ray diffraction, 2 ligands (HEM, 211), 3 pockets (best druggability 0.81). MolNFT v1 #145737 on GenesisL1: 3D…
- PDB
- 6CWW
- Type
- protein
- Length
- 370 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- A0A117KVF3
- Ligands
- HEM, 211
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methyl-accepting chemotaxis protein | protein | 185 | 49% helix, 21% strand | A0A117KVF3 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- 211 · 2,2',2''-nitrilotriethanol · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.81 | 0.90 | 38 | HEM |
| 2 | 342 | 0.81 | 0.90 | 38 | HEM |
| 3 | 920 | 0.73 | 0.77 | 84 | empty |
Interfaces
1 interface between chains.
- A–B · 443 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6CWW · Cs H-NOX mutant with unnatural amino acid 4-cyano-L-phenylalanine at site 5 · 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 A0A117KVF3
- Elsewhere: RCSB PDB 6CWW · PDBe 6CWW · UniProt A0A117KVF3
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