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MolNFT v1 · #127193 · protein

Crystal structure of phosphoribosylpyrophosphate synthetase from mycobacterium smegmatis

5MP7 · Ribose-phosphate pyrophosphokinase: “Crystal structure of phosphoribosylpyrophosphate synthetase from mycobacterium smegmatis”. X-ray diffraction, 5 pockets (best druggability 0.72). MolNFT v1 #127193 on GenesisL1: 3D structure…

PDB
5MP7
Type
protein
Length
894 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribose-phosphate pyrophosphokinase
EC
2.7.6.1
UniProt
A0R3C8
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, BRibose-phosphate pyrophosphokinase (EC 2.7.6.1)protein29836% helix, 27% strandA0R3C8

Ligands and binding sites

  • ACT · Acetate ion · additive · 3 copies · chains A, C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19090.720.77100ACT
22640.590.7944ACT
32540.590.7942ACT
4800.380.7719empty
5790.340.7519empty

Interfaces

3 interfaces between chains.

  • A–B · 2112 Ų buried · 21 hydrogen bonds · protein-protein
  • C–B · 388 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 56 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5MP7 · Crystal structure of phosphoribosylpyrophosphate synthetase from Mycobacterium smegmatis · the same entry in another collection · chain A against A, TM-score 1.00

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