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Crystal structure of a ribulose-phosphate 3-epimerase from neisseria gonorrhoeae with bound phosphate

Analyse Crystal structure of a ribulose-phosphate 3-epimerase from neisseria… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UMF
Type
protein
Length
670 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribulose-phosphate 3-epimerase
EC
5.1.3.1
UniProt
B4RLV9
Ligands
ZN, PO4
Pockets
5 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibulose-phosphate 3-epimerase (EC 5.1.3.1)protein22346% helix, 19% strandB4RLV9
CRibulose-phosphate 3-epimerase (EC 5.1.3.1)protein22445% helix, 20% strandB4RLV9

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A, B, C
  • PO4 · Phosphate ion · ion · 3 copies · chains A, B, C
  • GOL · Glycerol · additive · 4 copies · chains A, B, C

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
1640.670.9525PO4
2530.640.9525PO4
3550.620.9324PO4
41950.490.7623empty
5950.400.7719empty

Interfaces

2 interfaces between chains.

  • B–C · 1012 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 657 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5UMF · Crystal Structure of a Ribulose-phosphate 3-epimerase from Neisseria gonorrhoeae with… · the same entry in another collection · chain A against A, TM-score 1.00

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