MolNFT v1 · #103687 · protein

Crystal structure of the stress-inducible human heat shock protein HSP70 substrate-binding domain in complex with peptide substrate

4PO2 · Heat shock 70 kda protein 1A/1B: “Crystal structure of the stress-inducible human heat shock protein HSP70 substrate-binding domain in complex…”. X-ray diffraction, 2 ligands (SO4, PO4), 3 pockets (best druggability 0.68). MolNFT v1…

PDB: 4PO2
Type: protein
Length: 456 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock 70 kda protein 1A/1B; HSP70 substrate peptide
UniProt: P08107
Ligands: SO4, PO4
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock 70 kda protein 1A/1B	protein	228	43% helix, 27% strand	P08107
B	Heat shock 70 kda protein 1A/1B	protein	215	41% helix, 28% strand	P08107
C	HSP70 substrate peptide	protein	7	0% helix, 29% strand	—
D	HSP70 substrate peptide	protein	6	0% helix, 33% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 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	816	0.68	0.75	85	PO4, SO4
2	92	0.51	0.82	17	empty
3	101	0.37	0.75	21	empty

Interfaces

3 interfaces between chains.

A–B · 757 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 611 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 597 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4PO2 · Crystal Structure of the Stress-Inducible Human Heat Shock Protein HSP70… · 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 4PO2 · PDBe 4PO2 · UniProt P08107

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.