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Structure of TRAP1 complexed with DN320

Analyse Structure of TRAP1 complexed with DN320 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5Y3O
Type: protein
Length: 433 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 75 kda, mitochondrial
UniProt: Q12931
Ligands: 8M9
Pockets: 7 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 75 kda, mitochondrial	protein	433	37% helix, 24% strand	Q12931

Ligands and binding sites

8M9 · 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl) methyl]pyrazolo[3,4-d]pyrimidin-6-amine · ligand · chains A

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

Pockets

7 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	237	0.67	0.84	30	8M9
2	189	0.48	0.76	28	empty
3	91	0.43	0.79	18	empty
4	52	0.36	0.80	20	empty
5	83	0.36	0.75	16	empty

Compared structures

5Y3O · Structure of TRAP1 complexed with DN320 · the same entry in another collection · chain A against A, TM-score 1.00
Q12931 · AlphaFold monomer V2.0 prediction for heat shock protein 75 kda, mitochondrial (Q12931) · a predicted model of the same protein · chain A against A, TM-score 0.85

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 Q12931
Elsewhere: RCSB PDB 5Y3O · PDBe 5Y3O · UniProt Q12931

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