MolNFT v1 · #72391 · protein

Crystal structure of aha-1 from plasmodium falciparum, PFC0270W

3N72 · Putative activator of HSP90: “Crystal structure of aha-1 from plasmodium falciparum, PFC0270W”. X-ray diffraction, 1 ligand (SCN), 2 pockets (best druggability 0.39). MolNFT v1 #72391 on GenesisL1: 3D structure, binding sites and…

PDB: 3N72
Type: protein
Length: 295 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative activator of HSP90
UniProt: Q689C6
Ligands: SCN
Pockets: 2 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative activator of HSP90	protein	143	42% helix, 35% strand	Q689C6
B	Putative activator of HSP90	protein	152	38% helix, 39% strand	Q689C6

Ligands and binding sites

SCN · Thiocyanate ion · ion · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	83	0.39	0.78	21	empty
2	67	0.31	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 621 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3N72 · Crystal Structure of Aha-1 from plasmodium falciparum, PFC0270w · 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 Q689C6
Elsewhere: RCSB PDB 3N72 · PDBe 3N72 · UniProt Q689C6

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