MolNFT v1 · #160915 · protein
Crystal structure of ligand-binding domain of pseudomonas fluorescens chemoreceptor ctaa in complex with L-isoleucine
6PY3 · Putative methyl-accepting chemotaxis protein: “Crystal structure of ligand-binding domain of pseudomonas fluorescens chemoreceptor ctaa in complex with…”. X-ray diffraction, 1 ligand (ILE), 2 pockets (best druggability 0.61). MolNFT…
- PDB
- 6PY3
- Type
- protein
- Length
- 472 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative methyl-accepting chemotaxis protein
- UniProt
- Q3K7T6
- Ligands
- ILE
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative methyl-accepting chemotaxis protein | protein | 234 | 37% helix, 29% strand | Q3K7T6 |
| B | Putative methyl-accepting chemotaxis protein | protein | 238 | 38% helix, 29% strand | Q3K7T6 |
Ligands and binding sites
- ILE · Isoleucine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 421 | 0.61 | 0.76 | 60 | empty |
| 2 | 92 | 0.43 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 829 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6PY3 · Crystal structure of ligand-binding domain of Pseudomonas fluorescens chemoreceptor CtaA… · 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 Q3K7T6
- Elsewhere: RCSB PDB 6PY3 · PDBe 6PY3 · UniProt Q3K7T6
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