MolNFT v1 · #65814 · protein

Crystal structure of the amino-terminal domain of HSP90 from leishmania major, LMJF33.0312:M1-K213

3H80 · Heat shock protein 83-1: “Crystal structure of the amino-terminal domain of HSP90 from leishmania major, LMJF33.0312:M1-K213”. X-ray diffraction, 2 ligands (ANP, MG), 2 pockets (best druggability 0.56). MolNFT v1 #65814 on…

PDB: 3H80
Type: protein
Length: 214 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heat shock protein 83-1
UniProt: Q4Q4I6
Ligands: ANP, MG
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heat shock protein 83-1	protein	214	44% helix, 23% strand	Q4Q4I6

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 7 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	208	0.56	0.79	27	MG, EDO, ANP
2	74	0.39	0.79	18	EDO

Compared structures

3H80 · Crystal structure of the amino-terminal domain of HSP90 from Leishmania major… · 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 Q4Q4I6
Elsewhere: RCSB PDB 3H80 · PDBe 3H80 · UniProt Q4Q4I6

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