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MolNFT v1 · #103825 · protein

Mycobacterium tuberculosis reca glycerol bound low temperature structure iic-N1

4PSA · Protein reca, 1ST part, 2ND part: “Mycobacterium tuberculosis reca glycerol bound low temperature structure iic-N1”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.50). MolNFT v1 #103825 on GenesisL1: 3D structure…

PDB
4PSA
Type
protein
Length
310 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein reca, 1ST part, 2ND part
EC
3.1.-.-
UniProt
P0A5U4
Ligands
NA
Pockets
4 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein reca, 1ST part, 2ND part (EC 3.1.-.-)protein31040% helix, 25% strandP0A5U4

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11640.500.7825NA, GOL
21170.410.7633EDO
3620.310.7517empty
4620.260.7324EDO

Compared structures

  • 4PSA · Mycobacterium tuberculosis RecA glycerol bound low temperature structure IIC-N1 · the same entry in another collection · chain A against A, TM-score 1.00

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