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HSC70 nbd with betaine

Analyse HSC70 nbd with betaine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4H5W
Type: protein
Length: 764 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock cognate 71 kda protein
UniProt: P11142
Ligands: BET, MG, PO4
Pockets: 7 · best druggability 0.73

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Heat shock cognate 71 kda protein	protein	382	41% helix, 28% strand	P11142

Ligands and binding sites

BET · Trimethyl glycine · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 4 copies · chains A, B
ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	415	0.73	0.84	46	MG, PO4, BET, ACT
2	466	0.72	0.82	56	MG, ACT, PO4, BET
3	128	0.63	0.87	24	empty
4	413	0.60	0.76	36	empty
5	342	0.58	0.76	32	empty

Interfaces

1 interface between chains.

A–B · 478 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4H5W · HSC70 NBD with betaine · the same entry in another collection · chain A against A, TM-score 1.00
P11142 · AlphaFold monomer V2.0 prediction for heat shock cognate 71 kda protein (P11142) · a predicted model of the same protein · chain B against A, TM-score 0.88

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 P11142
Elsewhere: RCSB PDB 4H5W · PDBe 4H5W · UniProt P11142

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