ChemComp-FUQ: Mo5 Cluster

Basic information

• Entry: Database: PDB chemical components / ID: FUQ
• Name: Name: Mo5 Cluster

Chemical information

Composition

Formula: H₂₀Mo₅O₂₅ / Number of atoms: 50 / Formula weight: 899.844 / Formal charge: 0

Others

6gx4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FUQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6GX4

History

Create component	Jul 30, 2018
Initial release	Nov 14, 2018

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1
• OpenEye OEToolkits 2.0.6: O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O

SMILES CANONICAL

• CACTVS 3.385: O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)(O)O1
• OpenEye OEToolkits 2.0.6: O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O

InChI

• InChI 1.03: InChI=1S/5Mo.20H2O.5O/h;;;;;20*1H2;;;;;/q5*+4;;;;;;;;;;;;;;;;;;;;;;;;;/p-20

InChIKey

• InChI 1.03: KKTGFJKWMBVMER-UHFFFAOYSA-A

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.6: 2,2,2,2,4,4,4,4,6,6,6,6,8,8,8,8,10,10,10,10-icosakis(oxidanyl)-1,3,5,7,9-pentaoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6},10$l^{6}-pentamolybdacyclodecane

PDB entries

Showing all 6 items

PDB-6gx4:
The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed under in vitro conditions

PDB-6h6w:
Molybdenum storage protein- H156A

PDB-6h73:
Molybdenum storage protein - recombinantly produced and loaded with molybdate under in vitro conditions

PDB-6h74:
The molybdenum storage protein - L131H

PDB-6h8b:
Molybdenum storage protein prepared under in vivo-like conditions and incubated with ATP and molybdate at 303 K

PDB-6h8h:
Molybdenum storage protein - in a recombinant and in vivo-like form