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Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)- 6-amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy- tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile

Analyse Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IO8
Type: protein
Length: 377 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock 70KDA protein 1A variant
UniProt: Q59EJ3
Ligands: 3FD
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock 70KDA protein 1A variant	protein	377	41% helix, 29% strand	Q59EJ3

Ligands and binding sites

3FD · 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl) methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	763	0.74	0.79	68	3FD

Compared structures

4IO8 · Crystal structure of human HSP70 complexed with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt Q59EJ3
Elsewhere: RCSB PDB 4IO8 · PDBe 4IO8 · UniProt Q59EJ3

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