GL1X · GenesisL1 explorer

MolNFT v1 · #186704 · protein

Yeast CTP synthase (URA7) H360R filament bound to substrates

7RMV: “Yeast CTP synthase (URA7) H360R filament bound to substrates”. Electron microscopy, 2 ligands (ATP, UTP), 20 pockets (best druggability 0.87). MolNFT v1 #186704 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RMV
Type
protein
Length
4,424 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CTP synthase
EC
6.3.4.2
UniProt
A0A7I9CFN1
Ligands
ATP, UTP
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HCTP synthase (EC 6.3.4.2)protein55341% helix, 20% strandA0A7I9CFN1

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H
  • UTP · Uridine 5'-triphosphate · ligand · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18150.870.89122UTP
27860.860.89119UTP
32370.660.8429empty
42430.650.8332empty
5990.640.9020UTP

Interfaces

14 interfaces between chains.

  • E–H · 1556 Ų buried · 39 hydrogen bonds · protein-protein
  • A–D · 1556 Ų buried · 39 hydrogen bonds · protein-protein
  • F–G · 1540 Ų buried · 37 hydrogen bonds · protein-protein
  • B–C · 1539 Ų buried · 37 hydrogen bonds · protein-protein
  • C–F · 1067 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 covalent (covalent ligand).

Compared structures

  • 7RMV · Yeast CTP Synthase (Ura7) H360R Filament bound to Substrates · the same entry in another collection · chain H against H, TM-score 1.00

Analyse

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