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Crystal structure of human HSP70 nbd in the ADP-, mg ion-, and K ion- bound state

Analyse Crystal structure of human HSP70 nbd in the ADP-, mg ion-, and K ion- bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AY9
Type: protein
Length: 379 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock 70 kda protein 1A/1B
UniProt: P08107
Ligands: ADP, MG, K, CA, PO4, CL
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock 70 kda protein 1A/1B	protein	379	41% helix, 28% strand	P08107

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
K · Potassium ion · metal · chains A
CA · Calcium ion · metal · chains A
PO4 · Phosphate ion · ion · chains A
CL · Chloride ion · ion · chains A

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

Pockets

2 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	507	0.76	0.84	59	ADP, PO4, MG, K, CA
2	96	0.39	0.76	18	empty

Compared structures

3AY9 · Crystal structure of human Hsp70 NBD in the ADP-, Mg ion-, and K ion-bound state · the same entry in another collection · chain A against A, TM-score 1.00

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 P08107
Elsewhere: RCSB PDB 3AY9 · PDBe 3AY9 · UniProt P08107

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