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Structure of SYM2 D9V+D55V+D130V+D176V

Analyse Structure of SYM2 D9V+D55V+D130V+D176V in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4FX7
Type
protein
Length
960 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Imidazole glycerol phosphate synthase subunit hisf
EC
4.1.3.-
UniProt
Q9X0C6
Ligands
PI
Pockets
8 · best druggability 0.85

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AImidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-)protein24039% helix, 30% strandQ9X0C6
BImidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-)protein24139% helix, 30% strandQ9X0C6
CImidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-)protein24037% helix, 30% strandQ9X0C6
DImidazole glycerol phosphate synthase subunit hisf (EC 4.1.3.-)protein23941% helix, 30% strandQ9X0C6

Ligands and binding sites

  • PI · Hydrogenphosphate ion · ion · 8 copies · chains A, B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19760.850.86100PI
25010.790.8664PI
32790.790.9142PI
43140.790.9045PI
52790.600.7928empty

Interfaces

5 interfaces between chains.

  • A–B · 455 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 409 Ų buried · 6 hydrogen bonds · protein-protein
  • C–D · 396 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 171 Ų buried · 0 hydrogen bonds · protein-protein
  • B–D · 62 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4FX7 · Structure of Sym2 D9V+D55V+D130V+D176V · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9X0C6 · AlphaFold monomer V2.0 prediction for imidazole glycerol phosphate synthase subunit hisf… · a predicted model of the same protein · chain B against A, TM-score 0.91

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