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Crystal structure of icir transcriptional regulator from alicyclobacillus acidocaldarius

Analyse Crystal structure of icir transcriptional regulator from alicyclobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5TJJ
Type: protein
Length: 504 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator, iclr family
UniProt: C8WQP8
Pockets: 6 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator, iclr family	protein	254	47% helix, 21% strand	C8WQP8
B	Transcriptional regulator, iclr family	protein	250	47% helix, 20% strand	C8WQP8

Ligands and binding sites

GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 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	343	0.58	0.76	34	empty
2	191	0.47	0.76	24	empty
3	103	0.37	0.75	18	empty
4	101	0.33	0.72	19	empty
5	65	0.31	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 2611 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 modified (engineered).

Analyse

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Every structure of UniProt C8WQP8
Elsewhere: RCSB PDB 5TJJ · PDBe 5TJJ · UniProt C8WQP8

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