MolNFT v1 · #139508 · protein

Crystal structure of vqsr lbd domain from pseudomonas aeruginosa

5XHX · Helix-turn-helix transcriptional regulator: “Crystal structure of vqsr lbd domain from pseudomonas aeruginosa”. X-ray diffraction, 6 pockets (best druggability 0.73). MolNFT v1 #139508 on GenesisL1: 3D structure, binding sites and…

PDB: 5XHX
Type: protein
Length: 332 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Helix-turn-helix transcriptional regulator
UniProt: A0A072ZQT2
Pockets: 6 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Helix-turn-helix transcriptional regulator	protein	168	51% helix, 19% strand	A0A072ZQT2
B	Helix-turn-helix transcriptional regulator	protein	164	48% helix, 20% strand	A0A072ZQT2

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	103	0.73	0.94	26	empty
2	100	0.73	0.95	24	empty
3	96	0.38	0.76	19	empty
4	73	0.35	0.76	19	empty
5	86	0.34	0.74	19	empty

Interfaces

1 interface between chains.

A–B · 721 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

5XHX · Crystal structure of VqsR LBD domain from Pseudomonas aeruginosa · 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 A0A072ZQT2
Elsewhere: RCSB PDB 5XHX · PDBe 5XHX · UniProt A0A072ZQT2

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