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Dntr from burkholderia sp. strain dnt in complex with thiocyanate

Analyse Dntr from burkholderia sp. strain dnt in complex with thiocyanate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UTH
Type: protein
Length: 445 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lysr-type regulatory protein
UniProt: Q7WT50
Ligands: SCN
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lysr-type regulatory protein	protein	219	33% helix, 26% strand	Q7WT50
B	Lysr-type regulatory protein	protein	226	35% helix, 26% strand	Q7WT50

Ligands and binding sites

SCN · Thiocyanate ion · ion · 17 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	550	0.74	0.81	76	SCN
2	51	0.45	0.84	17	SCN
3	67	0.39	0.79	20	SCN

Interfaces

1 interface between chains.

A–B · 1536 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

1UTH · DntR from Burkholderia sp. strain DNT in complex with Thiocyanate · 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 Q7WT50
Elsewhere: RCSB PDB 1UTH · PDBe 1UTH · UniProt Q7WT50

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