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Crystal structure of log from corynebacterium glutamicum

Analyse Crystal structure of log from corynebacterium glutamicum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5ITS
Type
protein
Length
762 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytokinin riboside 5'-monophosphate phosphoribohydrolase
EC
3.2.2.-
UniProt
Q8NN34
Ligands
PO4
Pockets
7 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 46% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytokinin riboside 5'-monophosphate phosphoribohydrolase (EC 3.2.2.-)protein18348% helix, 17% strandQ8NN34
BCytokinin riboside 5'-monophosphate phosphoribohydrolase (EC 3.2.2.-)protein19546% helix, 16% strandQ8NN34
CCytokinin riboside 5'-monophosphate phosphoribohydrolase (EC 3.2.2.-)protein18846% helix, 18% strandQ8NN34
DCytokinin riboside 5'-monophosphate phosphoribohydrolase (EC 3.2.2.-)protein19645% helix, 16% strandQ8NN34

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, D, B, C
  • GOL · Glycerol · additive · 6 copies · chains A, B, D, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110570.800.81120PO4, GOL
21020.760.9631PO4, GOL
3890.720.9528empty
42430.690.8535empty
53080.660.8142GOL

Interfaces

5 interfaces between chains.

  • C–D · 1653 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 1614 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 1038 Ų buried · 7 hydrogen bonds · protein-protein
  • A–D · 333 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 261 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5ITS · Crystal structure of LOG from Corynebacterium glutamicum · the same entry in another collection · chain A against A, TM-score 1.00

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