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MolNFT v1 · #15807 · protein

Complex of thio (glycine oxidase) with acetyl-glycine

1NG3: “Complex of thio (glycine oxidase) with acetyl-glycine”. X-ray diffraction, 3 ligands (FAD, AAC, PO4), 8 pockets (best druggability 0.81). MolNFT v1 #15807 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1NG3
Type
protein
Length
728 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycine oxidase
EC
1.5.3.-
UniProt
O31616
Ligands
FAD, AAC, PO4
Pockets
8 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlycine oxidase (EC 1.5.3.-)protein36432% helix, 27% strandO31616

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • AAC · Acetylamino-acetic acid · ligand · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16510.810.8683FAD, AAC
23320.810.9161FAD, AAC
35870.720.8047PO4
41720.570.8136empty
51580.550.8030empty

Interfaces

1 interface between chains.

  • A–B · 941 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 1NG3 · Complex of ThiO (glycine oxidase) with acetyl-glycine · the same entry in another collection · chain A against A, TM-score 1.00
  • O31616 · AlphaFold monomer V2.0 prediction for glycine oxidase (O31616) · a predicted model of the same protein · chain A against A, TM-score 1.00

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