MolNFT v1 · #139312 · protein

The structure of brlr

5XBW · Probable transcriptional regulator: “The structure of brlr”. X-ray diffraction, 15 pockets (best druggability 0.84). MolNFT v1 #139312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5XBW
Type: protein
Length: 1,058 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable transcriptional regulator
UniProt: Q9HUT5
Pockets: 15 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Probable transcriptional regulator	protein	259	36% helix, 23% strand	Q9HUT5
B, D	Probable transcriptional regulator	protein	270	37% helix, 24% strand	Q9HUT5

Pockets

15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	760	0.84	0.87	85	empty
2	1075	0.83	0.84	86	empty
3	406	0.69	0.81	34	empty
4	251	0.58	0.78	32	empty
5	265	0.58	0.78	34	empty

Interfaces

6 interfaces between chains.

A–D · 2033 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 2012 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1527 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 1483 Å² buried · 9 hydrogen bonds · protein-protein
B–D · 543 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5XBW · The structure of BrlR · 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 Q9HUT5
Elsewhere: RCSB PDB 5XBW · PDBe 5XBW · UniProt Q9HUT5

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