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Structure of E. COLI transcriptional regulator rutr with bound uracil

Analyse Structure of E. COLI transcriptional regulator rutr with bound uracil in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JYK
Type: protein
Length: 397 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hth-type transcriptional regulator rutr
UniProt: P0ACU2
Ligands: URA, SO4
Pockets: 3 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hth-type transcriptional regulator rutr	protein	201	77% helix, 0% strand	P0ACU2
B	Hth-type transcriptional regulator rutr	protein	196	79% helix, 0% strand	P0ACU2

Ligands and binding sites

URA · Uracil · ligand · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 7 copies · chains A, 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	279	0.52	0.75	33	empty
2	61	0.33	0.77	18	empty
3	60	0.32	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 2269 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4JYK · Structure of E. coli Transcriptional Regulator RutR with bound uracil · the same entry in another collection · chain A against A, TM-score 1.00
P0ACU2 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator rutr (P0ACU2) · a predicted model of the same protein · chain B against A, TM-score 0.99

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0ACU2
Elsewhere: RCSB PDB 4JYK · PDBe 4JYK · UniProt P0ACU2

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