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MolNFT v1 · #30594 · protein

Structure of desulfovibrio desulfuricans G20 tetraheme cytochrome with bound molybdate

2A3P · COG3005: NITRATE/TMAO reductases, membrane-bound tetraheme…: “Structure of desulfovibrio desulfuricans G20 tetraheme cytochrome with bound molybdate”. X-ray diffraction, 2 ligands (HEC, MOO), 1 pocket (best druggability 0.76).…

PDB
2A3P
Type
protein
Length
107 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
COG3005: NITRATE/TMAO reductases, membrane-bound tetraheme cytochrome C subunit
UniProt
Q30WH0
Ligands
HEC, MOO
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACOG3005: NITRATE/TMAO reductases, membrane-bound tetraheme cytochrome C subunitprotein10728% helix, 9% strandQ30WH0

Ligands and binding sites

  • HEC · Heme C · ligand · 4 copies · chains A
  • MOO · Molybdate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16590.760.8171HEC

Modifications

Observed in the structure: 8 cofactor (heme c attachment).

Compared structures

  • 2A3P · Structure of Desulfovibrio desulfuricans G20 tetraheme cytochrome with bound molybdate · the same entry in another collection · chain A against A, TM-score 1.00

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