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Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide

Analyse Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5LU1
Type: protein
Length: 941 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3 protein sigma; Heat shock protein beta-6
UniProt: P31947, O14558
Pockets: 9 · best druggability 0.66

Structure

x-ray diffraction · 5 distinct chains · 83% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3 protein sigma	protein	225	85% helix, 0% strand	P31947
B	14-3-3 protein sigma	protein	227	85% helix, 0% strand	P31947
C, D, G, H	Heat shock protein beta-6	protein	8	0% helix, 0% strand	O14558
E	14-3-3 protein sigma	protein	227	83% helix, 0% strand	P31947
F	14-3-3 protein sigma	protein	230	83% helix, 0% strand	P31947

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B, E, F

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

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	443	0.66	0.79	55	TRS
2	144	0.64	0.86	26	empty
3	158	0.61	0.84	27	empty
4	133	0.58	0.84	25	empty
5	113	0.57	0.84	26	empty

Interfaces

8 interfaces between chains.

E–F · 1047 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 985 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 629 Å² buried · 13 hydrogen bonds · protein-protein
F–H · 621 Å² buried · 13 hydrogen bonds · protein-protein
B–D · 614 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

5LU1 · Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide · the same entry in another collection · chain H against H, TM-score 1.00
P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P31947
Every structure of UniProt O14558
Elsewhere: RCSB PDB 5LU1 · PDBe 5LU1 · UniProt P31947 · UniProt O14558

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