MolNFT v1 · #75977 · protein

Crystal structure of human mc-HSP90 in P21 space group

3Q6N · Heat shock protein HSP 90-alpha: “Crystal structure of human mc-HSP90 in P21 space group”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.70). MolNFT v1 #75977 on GenesisL1: 3D structure, binding sites and…

PDB: 3Q6N
Type: protein
Length: 2,159 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein HSP 90-alpha
UniProt: P07900
Ligands: SO4
Pockets: 20 · best druggability 0.70

Structure

x-ray diffraction · 6 distinct chains · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	360	42% helix, 18% strand	P07900
B	Heat shock protein HSP 90-alpha	protein	362	42% helix, 18% strand	P07900
C	Heat shock protein HSP 90-alpha	protein	354	43% helix, 19% strand	P07900
D	Heat shock protein HSP 90-alpha	protein	360	43% helix, 18% strand	P07900
E	Heat shock protein HSP 90-alpha	protein	360	43% helix, 18% strand	P07900
F	Heat shock protein HSP 90-alpha	protein	363	44% helix, 18% strand	P07900

Ligands and binding sites

SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D, E, F

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	426	0.70	0.81	63	empty
2	351	0.68	0.81	57	empty
3	417	0.63	0.77	43	empty
4	324	0.60	0.78	36	empty
5	142	0.59	0.84	34	empty

Interfaces

10 interfaces between chains.

A–B · 1310 Å² buried · 4 hydrogen bonds · protein-protein
E–F · 1302 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 1256 Å² buried · 4 hydrogen bonds · protein-protein
A–F · 344 Å² buried · 0 hydrogen bonds · protein-protein
C–E · 329 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3Q6N · Crystal Structure of Human MC-HSP90 in P21 space group · 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 P07900
Elsewhere: RCSB PDB 3Q6N · PDBe 3Q6N · UniProt P07900

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