MolNFT v1 · #55227 · protein

Crystal structure of yoph in complex with 3-(1,1-dioxido-3-oxoisothiazolidin-5-YL)BENZALDEYDE

2YDU · Outer protein H phosphatase: “Crystal structure of yoph in complex with 3-(1,1-dioxido-3-oxoisothiazolidin-5-YL)BENZALDEYDE”. X-ray diffraction, 1 ligand (79W), 1 pocket (best druggability 0.45). MolNFT v1 #55227 on GenesisL1: 3D…

PDB: 2YDU
Type: protein
Length: 282 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer protein H phosphatase
UniProt: Q7ARH8
Ligands: 79W
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Outer protein H phosphatase	protein	282	37% helix, 21% strand	Q7ARH8

Ligands and binding sites

79W · 3-[(2S)-1,1-dioxido-4-oxotetrahydrothiophen-2-yl]benzaldehyde · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	148	0.45	0.76	23	empty

Compared structures

2YDU · Crystal structure of YopH in complex with 3-(1,1-dioxido-3… · 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 Q7ARH8
Elsewhere: RCSB PDB 2YDU · PDBe 2YDU · UniProt Q7ARH8

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