MolNFT v1 · #134948 · protein

Structure of the hd-domain phosphohydrolase oxsa with oxetanocin-a triphosphate bound

5TK7 · Oxsa protein: “Structure of the hd-domain phosphohydrolase oxsa with oxetanocin-a triphosphate bound”. X-ray diffraction, 2 ligands (7D4, MG), 3 pockets (best druggability 0.67). MolNFT v1 #134948 on GenesisL1: 3D structure, binding…

PDB: 5TK7
Type: protein
Length: 191 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oxsa protein
UniProt: O24769
Ligands: 7D4, MG
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oxsa protein	protein	191	70% helix, 1% strand	O24769

Ligands and binding sites

7D4 · [[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

3 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	445	0.67	0.79	41	MG, 7D4
2	139	0.42	0.75	24	empty
3	50	0.36	0.80	13	empty

Compared structures

5TK7 · Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A triphosphate bound · 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 O24769
Elsewhere: RCSB PDB 5TK7 · PDBe 5TK7 · UniProt O24769

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