MolNFT v1 · #82925 · protein

Heat shock protein 16.0 from schizosaccharomyces pombe

3W1Z: “Heat shock protein 16.0 from schizosaccharomyces pombe”. X-ray diffraction, 7 pockets (best druggability 0.76). MolNFT v1 #82925 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3W1Z
Type: protein
Length: 517 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 16
UniProt: O14368
Pockets: 7 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 16	protein	134	7% helix, 40% strand	O14368
B	Heat shock protein 16	protein	143	19% helix, 37% strand	O14368
C	Heat shock protein 16	protein	130	9% helix, 41% strand	O14368
D	Heat shock protein 16	protein	110	3% helix, 51% strand	O14368

Pockets

7 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	936	0.76	0.79	85	empty
2	408	0.70	0.81	33	empty
3	58	0.36	0.79	17	empty
4	65	0.34	0.77	17	empty
5	58	0.31	0.76	15	empty

Interfaces

4 interfaces between chains.

A–B · 1816 Å² buried · 45 hydrogen bonds · protein-protein
C–D · 1761 Å² buried · 45 hydrogen bonds · protein-protein
A–D · 1074 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 722 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3W1Z · Heat shock protein 16.0 from Schizosaccharomyces pombe · the same entry in another collection · chain D against D, TM-score 1.00
O14368 · AlphaFold monomer V2.0 prediction for heat shock protein 16 (O14368) · a predicted model of the same protein · chain D 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 O14368
Elsewhere: RCSB PDB 3W1Z · PDBe 3W1Z · UniProt O14368

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