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MolNFT v1 · #106438 · protein

Crystal structure of the mind-like ATPase flhg

4RZ3 · Site-determining protein: “Crystal structure of the mind-like ATPase flhg”. X-ray diffraction, 1 ligand (ADP), 3 pockets (best druggability 0.85). MolNFT v1 #106438 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4RZ3
Type
protein
Length
488 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Site-determining protein
UniProt
A4IMB4
Ligands
ADP
Pockets
3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSite-determining proteinprotein24445% helix, 18% strandA4IMB4

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111610.850.86116ADP
21400.460.7731empty
31270.450.7731empty

Interfaces

1 interface between chains.

  • A–B · 1400 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 4RZ3 · Crystal structure of the MinD-like ATPase FlhG · the same entry in another collection · chain A against A, TM-score 1.00

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