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MolNFT v1 · #104259 · protein

Crystal structure of a putative molybdenum cofactor biosynthesis protein F from burkholderia cenocepacia J2315

4Q51 · Uncharacterized protein: “Crystal structure of a putative molybdenum cofactor biosynthesis protein F from burkholderia cenocepacia J2315”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.78). MolNFT v1 #104259 on…

PDB
4Q51
Type
protein
Length
529 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
B4EN46
Ligands
CA
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein2647% helix, 52% strandB4EN46
BUncharacterized proteinprotein2657% helix, 53% strandB4EN46

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.780.9834empty
2500.720.9916CA
3880.500.8319empty
4840.430.7919empty

Interfaces

1 interface between chains.

  • A–B · 1726 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 4Q51 · Crystal structure of a putative molybdenum cofactor biosynthesis protein F from… · the same entry in another collection · chain A against A, TM-score 1.00

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