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MolNFT v1 · #71231 · protein

Crystal structure of phosphopentomutase from streptococcus mutans

3M7V: “Crystal structure of phosphopentomutase from streptococcus mutans”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.77). MolNFT v1 #71231 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3M7V
Type
protein
Length
802 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphopentomutase
EC
5.4.2.7
UniProt
Q8DTU0
Ligands
MN
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhosphopentomutase (EC 5.4.2.7)protein40134% helix, 20% strandQ8DTU0

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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
17760.770.8184empty
23490.600.7739empty
33390.590.7742empty
41010.430.7919empty
51070.410.7722empty

Interfaces

1 interface between chains.

  • A–B · 691 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3M7V · Crystal structure of phosphopentomutase from streptococcus mutans · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8DTU0 · AlphaFold monomer V2.0 prediction for phosphopentomutase (Q8DTU0) · a predicted model of the same protein · chain B against A, TM-score 0.98

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