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HSP90 N-terminal domain bound to anp

Analyse HSP90 N-terminal domain bound to anp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3T1K
Type: protein
Length: 427 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein HSP 90-alpha
UniProt: P07900
Ligands: ANP, MG
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein HSP 90-alpha	protein	213	42% helix, 23% strand	P07900
B	Heat shock protein HSP 90-alpha	protein	214	42% helix, 24% strand	P07900

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

4 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	208	0.60	0.81	25	ANP, MG
2	232	0.59	0.80	25	ANP, MG
3	75	0.32	0.75	15	empty
4	59	0.27	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 264 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3T1K · HSP90 N-terminal domain bound to ANP · 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 3T1K · PDBe 3T1K · UniProt P07900

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