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MolNFT v1 · #190370 · protein

Gpr domain of drosophila P5CS filament with glutamate and atpgammas

7WXI · Delta-1-pyrroline-5-carboxylate synthase: “Gpr domain of drosophila P5CS filament with glutamate and atpgammas”. Electron microscopy, 1 ligand (RGP), 11 pockets (best druggability 0.80). MolNFT v1 #190370 on GenesisL1: 3D structure…

PDB
7WXI
Type
protein
Length
860 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Delta-1-pyrroline-5-carboxylate synthase
EC
2.7.2.11, 1.2.1.41
UniProt
Q9VNW6
Ligands
RGP
Pockets
11 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 42% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDelta-1-pyrroline-5-carboxylate synthase (EC 2.7.2.11, 1.2.1.41)protein43042% helix, 12% strandQ9VNW6

Ligands and binding sites

  • RGP · Gamma-glutamyl phosphate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110150.800.8176empty
27490.770.8241empty
37320.720.7957RGP
46780.710.7857RGP
52630.580.7950empty

Interfaces

1 interface between chains.

  • A–B · 2946 Ų buried · 32 hydrogen bonds · protein-protein

Compared structures

  • 7WXI · GPR domain of Drosophila P5CS filament with glutamate and ATPgammaS · the same entry in another collection · chain A against A, TM-score 1.00

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