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MolNFT v1 · #176123 · protein

The structure of the arabidopsis thaliana guanosine deaminase complexed with inosine

7DCB: “The structure of the arabidopsis thaliana guanosine deaminase complexed with inosine”. X-ray diffraction, 2 ligands (NOS, ZN), 3 pockets (best druggability 0.78). MolNFT v1 #176123 on GenesisL1: 3D structure, binding sites and…

PDB
7DCB
Type
protein
Length
314 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanosine deaminase
EC
3.5.4.15
UniProt
Q94BU8
Ligands
NOS, ZN
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DGuanosine deaminase (EC 3.5.4.15)protein15743% helix, 18% strandQ94BU8

Ligands and binding sites

  • NOS · Inosine · ligand · 2 copies · chains A, D
  • ZN · Zinc ion · metal · 2 copies · chains A, D

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.780.9726NOS
21340.720.9120NOS
3680.280.7312empty

Interfaces

1 interface between chains.

  • A–D · 1622 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 7DCB · The structure of the Arabidopsis thaliana guanosine deaminase complexed with inosine · the same entry in another collection · chain A against A, TM-score 1.00
  • Q94BU8 · AlphaFold monomer V2.0 prediction for guanosine deaminase (Q94BU8) · a predicted model of the same protein · chain A against A, TM-score 0.94

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