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MolNFT v1 · #46868 · protein

Crystal structure of hypothetical molybdenum cofactor biosynthesis protein C from sulfolobus tokodaii

2OHD · Probable molybdenum cofactor biosynthesis protein C: “Crystal structure of hypothetical molybdenum cofactor biosynthesis protein C from sulfolobus tokodaii”. X-ray diffraction, 10 pockets (best druggability 0.83). MolNFT v1 #46868…

PDB
2OHD
Type
protein
Length
846 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable molybdenum cofactor biosynthesis protein C
UniProt
Q975D5
Pockets
10 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 35% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable molybdenum cofactor biosynthesis protein Cprotein14235% helix, 31% strandQ975D5
BProbable molybdenum cofactor biosynthesis protein Cprotein13935% helix, 30% strandQ975D5
CProbable molybdenum cofactor biosynthesis protein Cprotein14135% helix, 31% strandQ975D5
D, EProbable molybdenum cofactor biosynthesis protein Cprotein14036% helix, 29% strandQ975D5
FProbable molybdenum cofactor biosynthesis protein Cprotein14435% helix, 31% strandQ975D5

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16040.830.8758empty
25990.810.8651empty
32090.640.8333empty
41920.590.8234empty
51580.570.8227empty

Interfaces

15 interfaces between chains.

  • C–E · 1908 Ų buried · 18 hydrogen bonds · protein-protein
  • B–F · 1889 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 1882 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 727 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 695 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2OHD · Crystal structure of hypothetical molybdenum cofactor biosynthesis protein C from… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q975D5 · AlphaFold monomer V2.0 prediction for probable cyclic pyranopterin monophosphate synthase… · a predicted model of the same protein · chain C against A, TM-score 0.99

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