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Crystal structure analysis of SSE1, a yeast HSP110

Analyse Crystal structure analysis of SSE1, a yeast HSP110 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2QXL
Type: protein
Length: 1,242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein homolog SSE1
UniProt: P32589
Ligands: ATP, MG, K
Pockets: 16 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein homolog SSE1	protein	617	41% helix, 29% strand	P32589
B	Heat shock protein homolog SSE1	protein	625	41% helix, 28% strand	P32589

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
K · Potassium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	910	0.79	0.81	73	MG, K, ATP
2	705	0.79	0.83	74	MG, K, ATP
3	492	0.75	0.83	50	empty
4	519	0.74	0.83	54	empty
5	230	0.74	0.89	26	empty

Interfaces

1 interface between chains.

A–B · 1197 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

2QXL · Crystal Structure Analysis of Sse1, a yeast Hsp110 · the same entry in another collection · chain A against A, TM-score 1.00
P32589 · AlphaFold monomer V2.0 prediction for heat shock protein homolog SSE1 (P32589) · a predicted model of the same protein · chain B 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 P32589
Elsewhere: RCSB PDB 2QXL · PDBe 2QXL · UniProt P32589

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