MolNFT v1 · #113824 · protein

HSP72 with adenosine-derived inhibitor

5AQZ · Heat shock 70 kda protein 1A: “HSP72 with adenosine-derived inhibitor”. X-ray diffraction, 1 ligand (SGV), 3 pockets (best druggability 0.74). MolNFT v1 #113824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5AQZ
Type: protein
Length: 390 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock 70 kda protein 1A
EC: 3.6.3.51
UniProt: P0DMV8
Ligands: SGV
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock 70 kda protein 1A (EC 3.6.3.51)	protein	390	38% helix, 28% strand	P0DMV8

Ligands and binding sites

SGV · Sangivamycin · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	795	0.74	0.79	62	SGV, EDO
2	103	0.51	0.82	28	empty
3	56	0.27	0.73	15	empty

Compared structures

5AQZ · HSP72 with adenosine-derived inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P0DMV8 · AlphaFold monomer V2.0 prediction for heat shock 70 kda protein 1A (P0DMV8) · 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 P0DMV8
Elsewhere: RCSB PDB 5AQZ · PDBe 5AQZ · UniProt P0DMV8

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