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MolNFT v1 · #51853 · protein

Formyl-CoA transferase mutant variant W48F

2VJP · Formyl-coenzyme a transferase: “Formyl-CoA transferase mutant variant W48F”. X-ray diffraction, 1 ligand (NA), 12 pockets (best druggability 0.71). MolNFT v1 #51853 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2VJP
Type
protein
Length
854 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Formyl-coenzyme a transferase
EC
2.8.3.16
UniProt
O06644
Ligands
NA
Pockets
12 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFormyl-coenzyme a transferase (EC 2.8.3.16)protein42739% helix, 13% strandO06644

Ligands and binding sites

  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15370.710.8064empty
23580.690.8255empty
3730.620.9137empty
42320.610.8131empty
52130.560.7931empty

Interfaces

1 interface between chains.

  • A–B · 6347 Ų buried · 72 hydrogen bonds · protein-protein

Compared structures

  • 2VJP · Formyl-CoA transferase mutant variant W48F · the same entry in another collection · chain A against A, TM-score 1.00
  • O06644 · AlphaFold monomer V2.0 prediction for formyl-COA:OXALATE CoA- transferase (O06644) · a predicted model of the same protein · chain B against A, TM-score 1.00

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